3-(4-methylphenyl)-2-[(5-oxidanylidene-1-propyl-2H-pyrrol-3-yl)amino]benzenecarbonitrile

Systemtic Name: 3-(4-methylphenyl)-2-[(5-oxidanylidene-1-propyl-2H-pyrrol-3-yl)amino]benzenecarbonitrile Openeye Name: 2-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]-3-(p-tolyl)benzonitrile CAS Name: 3-(4-methylphenyl)-2-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]benzonitrile IUPAC Name: 3-(4-methylphenyl)-2-[(5-oxo-1-propyl-2H-pyrrol-3-yl)amino]benzonitrile Traditional Name: 2-[(5-keto-1-propyl-3-pyrrolin-3-yl)amino]-3-(p-tolyl)benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(=CC1=O)NC2=C(C=CC=C2C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCN1CC(=CC1=O)NC2=C(C=CC=C2C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H21N3O/c1-3-11-24-14-18(12-20(24)25)23-21-17(13-22)5-4-6-19(21)16-9-7-15(2)8-10-16/h4-10,12,23H,3,11,14H2,1-2H3