(2E)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-{4-[(1E)-2-{[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}eth-1-en-1-yl]phenyl}prop-2-enamide hydrate dihydrochloride

CAS: 6823-69-4

Formula: C30H32Cl2N6O3

SMILES: O.Cl.Cl.O=C(NC1=CC=C(C=C1)C1=NCCN1)C=CC1=CC=C(C=CC(=O)NC2=CC=C(C=C2)C2=NCCN2)C=C1

IUPAC: (2E)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-{4-[(1E)-2-{[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}eth-1-en-1-yl]phenyl}prop-2-enamide hydrate dihydrochloride

InChI: InChI=1S/C30H28N6O2.2ClH.H2O/c37-27(35-25-11-7-23(8-12-25)29-31-17-18-32-29)15-5-21-1-2-22(4-3-21)6-16-28(38)36-26-13-9-24(10-14-26)30-33-19-20-34-30;;;/h1-16H,17-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38);2*1H;1H2/b15-5+,16-6+;;;

Composition: C (60.51%), H (5.42%), Cl (11.91%), N (14.11%), O (8.06%)

Molar Mass: 595.53

Atom Count: 73

Heavy Atom Count: 41