3-[(3-oxidanylidene-4-prop-2-enyl-cyclohexen-1-yl)amino]-4-pentyl-1H-pyrrole-2-carbonitrile

Systemtic Name: 3-[(3-oxidanylidene-4-prop-2-enyl-cyclohexen-1-yl)amino]-4-pentyl-1H-pyrrole-2-carbonitrile Openeye Name: 3-[(4-allyl-3-oxo-cyclohexen-1-yl)amino]-4-pentyl-1H-pyrrole-2-carbonitrile CAS Name: 3-[(3-oxo-4-prop-2-enyl-1-cyclohexenyl)amino]-4-pentyl-1H-pyrrole-2-carbonitrile IUPAC Name: 3-[(3-oxo-4-prop-2-enylcyclohexen-1-yl)amino]-4-pentyl-1H-pyrrole-2-carbonitrile Traditional Name: 3-[(4-allyl-3-keto-cyclohexen-1-yl)amino]-4-amyl-1H-pyrrole-2-carbonitrile Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CNC(=C1NC2=CC(=O)C(CC2)CC=C)C#N

Isomeric SMILES

CCCCCC1=CNC(=C1NC2=CC(=O)C(CC2)CC=C)C#N

InChI

InChI=1S/C19H25N3O/c1-3-5-6-8-15-13-21-17(12-20)19(15)22-16-10-9-14(7-4-2)18(23)11-16/h4,11,13-14,21-22H,2-3,5-10H2,1H3