N5-methyl-1-(3-methylbutyl)-N3-[(3-methylphenyl)methyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide

Systemtic Name: N5-methyl-1-(3-methylbutyl)-N3-[(3-methylphenyl)methyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide Openeye Name: 1-isopentyl-N5-methyl-N3-(m-tolylmethyl)-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-methyl-1-(3-methylbutyl)-N3-[(3-methylphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide IUPAC Name: 5-N-methyl-1-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide Traditional Name: 1-isoamyl-4-keto-N'-methyl-N-(3-methylbenzyl)dinicotinamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC)CCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC)CCC(C)C

InChI

InChI=1S/C21H27N3O3/c1-14(2)8-9-24-12-17(20(26)22-4)19(25)18(13-24)21(27)23-11-16-7-5-6-15(3)10-16/h5-7,10,12-14H,8-9,11H2,1-4H3,(H,22,26)(H,23,27)