2-[4-(5-azanyl-3-oxidanylidene-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanenitrile

Systemtic Name: 2-[4-(5-azanyl-3-oxidanylidene-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanenitrile Openeye Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanenitrile CAS Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methylbutanenitrile IUPAC Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methylbutanenitrile Traditional Name: 2-[4-(2-amino-4-keto-3-phenyl-2-pyrrolin-1-yl)phenyl]-3-methyl-butyronitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#N)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-14(2)18(12-22)15-8-10-17(11-9-15)24-13-19(25)20(21(24)23)16-6-4-3-5-7-16/h3-11,14,18H,13,23H2,1-2H3