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

Systemtic Name: 3-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]benzamide Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C20H20N4O2/c1-12-8-15(13(2)24(12)18-6-7-18)9-16(11-21)20(26)23-17-5-3-4-14(10-17)19(22)25/h3-5,8-10,18H,6-7H2,1-2H3,(H2,22,25)(H,23,26)/b16-9+