N-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-butyl-1-cyclohexyl-5-[4-(m-tolylmethyl)piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-butyl-1-cyclohexyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-butyl-1-cyclohexyl-4-keto-5-[4-(3-methylbenzyl)piperazine-1-carbonyl]nicotinamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C)C4CCCCC4

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC=CC(=C3)C)C4CCCCC4

InChI

InChI=1S/C29H40N4O3/c1-3-4-13-30-28(35)25-20-33(24-11-6-5-7-12-24)21-26(27(25)34)29(36)32-16-14-31(15-17-32)19-23-10-8-9-22(2)18-23/h8-10,18,20-21,24H,3-7,11-17,19H2,1-2H3,(H,30,35)