4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxidanylidene-1H-pyridin-3-yl]-methyl-amino]butanenitrile

Systemtic Name: 4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxidanylidene-1H-pyridin-3-yl]-methyl-amino]butanenitrile Openeye Name: 4-[[5-ethyl-6-methyl-4-(m-tolylmethyl)-2-oxo-1H-pyridin-3-yl]-methyl-amino]butanenitrile CAS Name: 4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]butanenitrile IUPAC Name: 4-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]-methylamino]butanenitrile Traditional Name: 4-[[5-ethyl-2-keto-6-methyl-4-(3-methylbenzyl)-1H-pyridin-3-yl]-methyl-amino]butyronitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCCC#N)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCCC#N)C

InChI

InChI=1S/C21H27N3O/c1-5-18-16(3)23-21(25)20(24(4)12-7-6-11-22)19(18)14-17-10-8-9-15(2)13-17/h8-10,13H,5-7,12,14H2,1-4H3,(H,23,25)