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

Systemtic Name: N-butyl-1-cyclohexyl-4-oxidanylidene-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-butyl-1-cyclohexyl-4-oxo-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]pyridine-3-carboxamide CAS Name: N-butyl-1-cyclohexyl-4-oxo-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-butyl-1-cyclohexyl-4-oxo-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-butyl-1-cyclohexyl-4-keto-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]nicotinamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O3/c1-2-3-11-29-26(34)23-19-32(22-7-5-4-6-8-22)20-24(25(23)33)27(35)31-16-14-30(15-17-31)18-21-9-12-28-13-10-21/h9-10,12-13,19-20,22H,2-8,11,14-18H2,1H3,(H,29,34)