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

Systemtic Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxopentyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(isovalerylamino)-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Formula: C23H35ClN4O3 MolecularWeight: 451.002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)CC(C)C

InChI

InChI=1S/C23H35ClN4O3/c1-6-16(4)21(26-20(29)12-15(2)3)22(30)27-10-11-28(17(5)14-27)23(31)25-19-9-7-8-18(24)13-19/h7-9,13,15-17,21H,6,10-12,14H2,1-5H3,(H,25,31)(H,26,29)