1-cyclohexyl-N3-(2-methylpropyl)-4-oxidanylidene-N5-(quinolin-3-ylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: 1-cyclohexyl-N3-(2-methylpropyl)-4-oxidanylidene-N5-(quinolin-3-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: 1-cyclohexyl-N3-isobutyl-4-oxo-N5-(3-quinolylmethyl)pyridine-3,5-dicarboxamide CAS Name: 1-cyclohexyl-N3-(2-methylpropyl)-4-oxo-N5-(3-quinolinylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 1-cyclohexyl-3-N-(2-methylpropyl)-4-oxo-5-N-(quinolin-3-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: 1-cyclohexyl-N-isobutyl-4-keto-N'-(3-quinolylmethyl)dinicotinamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=CC3=CC=CC=C3N=C2)C4CCCCC4

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2=CC3=CC=CC=C3N=C2)C4CCCCC4

InChI

InChI=1S/C27H32N4O3/c1-18(2)13-29-26(33)22-16-31(21-9-4-3-5-10-21)17-23(25(22)32)27(34)30-15-19-12-20-8-6-7-11-24(20)28-14-19/h6-8,11-12,14,16-18,21H,3-5,9-10,13,15H2,1-2H3,(H,29,33)(H,30,34)