3-butyl-2-[(5-oxidanylidene-1-prop-2-enyl-2H-pyrrol-3-yl)amino]benzenecarbonitrile

Systemtic Name: 3-butyl-2-[(5-oxidanylidene-1-prop-2-enyl-2H-pyrrol-3-yl)amino]benzenecarbonitrile Openeye Name: 2-[(1-allyl-5-oxo-2H-pyrrol-3-yl)amino]-3-butyl-benzonitrile CAS Name: 3-butyl-2-[(5-oxo-1-prop-2-enyl-2H-pyrrol-3-yl)amino]benzonitrile IUPAC Name: 3-butyl-2-[(5-oxo-1-prop-2-enyl-2H-pyrrol-3-yl)amino]benzonitrile Traditional Name: 2-[(1-allyl-5-keto-3-pyrrolin-3-yl)amino]-3-butyl-benzonitrile Formula: C18H21N3O MolecularWeight: 295.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1NC2=CC(=O)N(C2)CC=C)C#N

Isomeric SMILES

CCCCC1=CC=CC(=C1NC2=CC(=O)N(C2)CC=C)C#N

InChI

InChI=1S/C18H21N3O/c1-3-5-7-14-8-6-9-15(12-19)18(14)20-16-11-17(22)21(13-16)10-4-2/h4,6,8-9,11,20H,2-3,5,7,10,13H2,1H3