3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]benzamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H18N4O2/c22-11-4-12-25-14-16(18-7-1-2-8-19(18)25)9-10-20(26)24-17-6-3-5-15(13-17)21(23)27/h1-3,5-10,13-14H,4,12H2,(H2,23,27)(H,24,26)/b10-9+