N5-butyl-4-oxidanylidene-1-(phenylmethyl)-N3-prop-2-enyl-pyridine-3,5-dicarboxamide

Systemtic Name: N5-butyl-4-oxidanylidene-1-(phenylmethyl)-N3-prop-2-enyl-pyridine-3,5-dicarboxamide Openeye Name: N3-allyl-1-benzyl-N5-butyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-butyl-4-oxo-1-(phenylmethyl)-N3-prop-2-enylpyridine-3,5-dicarboxamide IUPAC Name: 1-benzyl-5-N-butyl-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide Traditional Name: N-allyl-1-benzyl-N'-butyl-4-keto-dinicotinamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC=C)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC=C)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3/c1-3-5-12-23-21(27)18-15-24(13-16-9-7-6-8-10-16)14-17(19(18)25)20(26)22-11-4-2/h4,6-10,14-15H,2-3,5,11-13H2,1H3,(H,22,26)(H,23,27)