N-(4-chlorophenyl)-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[3-methyl-1-oxo-2-(1-oxooctylamino)butyl]-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide Traditional Name: 4-[2-(caprylylamino)-3-methyl-butanoyl]-N-(4-chlorophenyl)piperazine-1-carboxamide Formula: C24H37ClN4O3 MolecularWeight: 465.02858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C24H37ClN4O3/c1-4-5-6-7-8-9-21(30)27-22(18(2)3)23(31)28-14-16-29(17-15-28)24(32)26-20-12-10-19(25)11-13-20/h10-13,18,22H,4-9,14-17H2,1-3H3,(H,26,32)(H,27,30)