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

Systemtic Name: 4-[2-[(4-butylphenyl)carbonylamino]-3-methyl-pentanoyl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(4-butylbenzoyl)amino]-3-methyl-pentanoyl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[(4-butylphenyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(4-butylbenzoyl)amino]-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[(4-butylbenzoyl)amino]-3-methyl-pentanoyl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C29H46N4O3 MolecularWeight: 498.70054

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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)NC3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)N2CCN(C(C2)C)C(=O)NC3CCCCC3

InChI

InChI=1S/C29H46N4O3/c1-5-7-11-23-14-16-24(17-15-23)27(34)31-26(21(3)6-2)28(35)32-18-19-33(22(4)20-32)29(36)30-25-12-9-8-10-13-25/h14-17,21-22,25-26H,5-13,18-20H2,1-4H3,(H,30,36)(H,31,34)