4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC=C(C=C2)C#N)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N)C

InChI

InChI=1S/C20H19N3O/c1-4-9-23-14(2)10-19(15(23)3)20(24)18(13-22)11-16-5-7-17(12-21)8-6-16/h5-8,10-11H,4,9H2,1-3H3/b18-11+