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

Systemtic Name: N-(3-chlorophenyl)-4-[2-(2-ethylhexanoylamino)-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(2-ethylhexanoylamino)-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[2-[(2-ethyl-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-(2-ethylhexanoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(2-ethylhexanoylamino)-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Formula: C26H41ClN4O3 MolecularWeight: 493.08174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41ClN4O3/c1-6-9-11-20(8-3)24(32)29-23(18(4)7-2)25(33)30-14-15-31(19(5)17-30)26(34)28-22-13-10-12-21(27)16-22/h10,12-13,16,18-20,23H,6-9,11,14-15,17H2,1-5H3,(H,28,34)(H,29,32)