1-[3-(3,4-dichlorophenyl)-4-[methyl(phenylcarbonyl)amino]butyl]-N-methyl-4-phenyl-piperidine-4-carboxamide dihydrate hydrochloride

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-4-[methyl(phenylcarbonyl)amino]butyl]-N-methyl-4-phenyl-piperidine-4-carboxamide dihydrate hydrochloride Openeye Name: 1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]-N-methyl-4-phenyl-piperidine-4-carboxamide dihydrate hydrochloride CAS Name: 1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]-N-methyl-4-phenyl-4-piperidinecarboxamide dihydrate hydrochloride IUPAC Name: 1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]-N-methyl-4-phenylpiperidine-4-carboxamide dihydrate hydrochloride Traditional Name: 1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]-N-methyl-4-phenyl-isonipecotamide dihydrate hydrochloride Formula: C31H40Cl3N3O4 MolecularWeight: 625.026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.O.O.Cl

Isomeric SMILES

CNC(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.O.O.Cl

InChI

InChI=1S/C31H35Cl2N3O2.ClH.2H2O/c1-34-30(38)31(26-11-7-4-8-12-26)16-19-36(20-17-31)18-15-25(24-13-14-27(32)28(33)21-24)22-35(2)29(37)23-9-5-3-6-10-23;;;/h3-14,21,25H,15-20,22H2,1-2H3,(H,34,38);1H;2*1H2