2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-2-(1-methylpiperidin-4-yl)-3-(4-phenylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-2-(1-methylpiperidin-4-yl)-3-(4-phenylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-2-(1-methyl-4-piperidyl)-3-(4-phenylphenyl)piperazin-1-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-2-(1-methyl-4-piperidinyl)-3-(4-phenylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-2-(1-methylpiperidin-4-yl)-3-(4-phenylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-2-(1-methyl-4-piperidyl)-3-(4-phenylphenyl)piperazino]ethanone Formula: C39H42Cl2N4O2 MolecularWeight: 669.68238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2C3=CC=C(C=C3)C4=CC=CC=C4)(C5CCN(CC5)C)C6=CC(=C(C=C6)Cl)Cl)C(=O)CN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2C3=CC=C(C=C3)C4=CC=CC=C4)(C5CCN(CC5)C)C6=CC(=C(C=C6)Cl)Cl)C(=O)CN)C

InChI

InChI=1S/C39H42Cl2N4O2/c1-26-21-27(2)23-31(22-26)38(47)44-19-20-45(36(46)25-42)39(32-15-17-43(3)18-16-32,33-13-14-34(40)35(41)24-33)37(44)30-11-9-29(10-12-30)28-7-5-4-6-8-28/h4-14,21-24,32,37H,15-20,25,42H2,1-3H3