2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-(2-hydroxyethyl)-3-[1-(phenylmethyl)piperidin-4-yl]piperazin-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-(2-hydroxyethyl)-3-[1-(phenylmethyl)piperidin-4-yl]piperazin-2-yl]ethanone Openeye Name: 2-amino-1-[3-(1-benzyl-4-piperidyl)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)piperazin-2-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-(2-hydroxyethyl)-3-[1-(phenylmethyl)-4-piperidinyl]-2-piperazinyl]ethanone IUPAC Name: 2-amino-1-[3-(1-benzylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)piperazin-2-yl]ethanone Traditional Name: 2-amino-1-[3-(1-benzyl-4-piperidyl)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(2-hydroxyethyl)piperazin-2-yl]ethanone Formula: C35H42Cl2N4O3 MolecularWeight: 637.63898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2C3CCN(CC3)CC4=CC=CC=C4)(C5=CC(=C(C=C5)Cl)Cl)C(=O)CN)CCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2C3CCN(CC3)CC4=CC=CC=C4)(C5=CC(=C(C=C5)Cl)Cl)C(=O)CN)CCO)C

InChI

InChI=1S/C35H42Cl2N4O3/c1-24-18-25(2)20-28(19-24)34(44)41-15-14-40(16-17-42)35(32(43)22-38,29-8-9-30(36)31(37)21-29)33(41)27-10-12-39(13-11-27)23-26-6-4-3-5-7-26/h3-9,18-21,27,33,42H,10-17,22-23,38H2,1-2H3