4-(4-cyanophenyl)-2,5-dimethyl-1-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]pyrrole-3-carbonitrile

Systemtic Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]pyrrole-3-carbonitrile Openeye Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-3-carbonitrile CAS Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-[(6-oxo-1H-pyridin-3-yl)methyl]-3-pyrrolecarbonitrile IUPAC Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-3-carbonitrile Traditional Name: 4-(4-cyanophenyl)-1-[(6-keto-1H-pyridin-3-yl)methyl]-2,5-dimethyl-pyrrole-3-carbonitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CNC(=O)C=C2)C)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CNC(=O)C=C2)C)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C20H16N4O/c1-13-18(10-22)20(17-6-3-15(9-21)4-7-17)14(2)24(13)12-16-5-8-19(25)23-11-16/h3-8,11H,12H2,1-2H3,(H,23,25)