3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]benzamide Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)N)C

InChI

InChI=1S/C20H22N4O2/c1-4-8-24-13(2)9-16(14(24)3)10-17(12-21)20(26)23-18-7-5-6-15(11-18)19(22)25/h5-7,9-11H,4,8H2,1-3H3,(H2,22,25)(H,23,26)/b17-10+