5-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride

Systemtic Name: 5-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride Openeye Name: 5-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride CAS Name: 5-[4-[(4-aminophenyl)methyl]-1-piperazinyl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride IUPAC Name: 5-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride Traditional Name: 5-[4-(4-aminobenzyl)piperazino]-3,4-dihydrocarbostyril hydrate dihydrochloride Formula: C20H28Cl2N4O2 MolecularWeight: 427.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C(=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)N.O.Cl.Cl

Isomeric SMILES

C1CC(=O)NC2=C1C(=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)N.O.Cl.Cl

InChI

InChI=1S/C20H24N4O.2ClH.H2O/c21-16-6-4-15(5-7-16)14-23-10-12-24(13-11-23)19-3-1-2-18-17(19)8-9-20(25)22-18;;;/h1-7H,8-14,21H2,(H,22,25);2*1H;1H2