N-(3-chlorophenyl)-4-[2-(2,2-diphenylethanoylamino)-3-methyl-pentanoyl]piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[2-(2,2-diphenylethanoylamino)-3-methyl-pentanoyl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-[(2,2-diphenylacetyl)amino]-3-methyl-pentanoyl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[3-methyl-1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]pentyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-[(2,2-diphenylacetyl)amino]-3-methylpentanoyl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-[(2,2-diphenylacetyl)amino]-3-methyl-pentanoyl]piperazine-1-carboxamide Formula: C31H35ClN4O3 MolecularWeight: 547.0876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35ClN4O3/c1-3-22(2)28(34-29(37)27(23-11-6-4-7-12-23)24-13-8-5-9-14-24)30(38)35-17-19-36(20-18-35)31(39)33-26-16-10-15-25(32)21-26/h4-16,21-22,27-28H,3,17-20H2,1-2H3,(H,33,39)(H,34,37)