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

Systemtic Name: 4-[2-[(4-butylphenyl)carbonylamino]-3-methyl-pentanoyl]-N-(3-chlorophenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(4-butylbenzoyl)amino]-3-methyl-pentanoyl]-N-(3-chlorophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[(4-butylphenyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]-N-(3-chlorophenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(4-butylbenzoyl)amino]-3-methylpentanoyl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[(4-butylbenzoyl)amino]-3-methyl-pentanoyl]-N-(3-chlorophenyl)-2-methyl-piperazine-1-carboxamide Formula: C29H39ClN4O3 MolecularWeight: 527.09796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C29H39ClN4O3/c1-5-7-9-22-12-14-23(15-13-22)27(35)32-26(20(3)6-2)28(36)33-16-17-34(21(4)19-33)29(37)31-25-11-8-10-24(30)18-25/h8,10-15,18,20-21,26H,5-7,9,16-17,19H2,1-4H3,(H,31,37)(H,32,35)