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

Systemtic Name: N-[4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]phenyl]ethanamide Openeye Name: N-[4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxo-prop-1-enyl]phenyl]acetamide CAS Name: N-[4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-3-oxoprop-1-enyl]phenyl]acetamide IUPAC Name: N-[4-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-3-oxoprop-1-enyl]phenyl]acetamide Traditional Name: N-[4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-keto-prop-1-enyl]phenyl]acetamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-5-10-24-14(2)11-20(15(24)3)21(26)18(13-22)12-17-6-8-19(9-7-17)23-16(4)25/h6-9,11-12H,5,10H2,1-4H3,(H,23,25)/b18-12+