6-[4-[(phenylmethyl)amino]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride

Systemtic Name: 6-[4-[(phenylmethyl)amino]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride Openeye Name: 6-[4-(benzylamino)-1-piperidyl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride CAS Name: 6-[4-[(phenylmethyl)amino]-1-piperidinyl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride IUPAC Name: 6-[4-(benzylamino)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one hydrate dihydrochloride Traditional Name: 6-[4-(benzylamino)piperidino]-3,4-dihydrocarbostyril hydrate dihydrochloride Formula: C21H29Cl2N3O2 MolecularWeight: 426.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=CC=C2)C3=CC4=C(C=C3)NC(=O)CC4.O.Cl.Cl

Isomeric SMILES

C1CN(CCC1NCC2=CC=CC=C2)C3=CC4=C(C=C3)NC(=O)CC4.O.Cl.Cl

InChI

InChI=1S/C21H25N3O.2ClH.H2O/c25-21-9-6-17-14-19(7-8-20(17)23-21)24-12-10-18(11-13-24)22-15-16-4-2-1-3-5-16;;;/h1-5,7-8,14,18,22H,6,9-13,15H2,(H,23,25);2*1H;1H2