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

Systemtic Name: 3-[[(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoyl]amino]-N-methyl-benzamide Openeye Name: 3-[[(E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-methyl-benzamide CAS Name: 3-[[(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]-N-methylbenzamide IUPAC Name: 3-[[(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoyl]amino]-N-methylbenzamide Traditional Name: 3-[[(E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]-N-methyl-benzamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C22H26N4O2/c1-14(2)13-26-15(3)9-18(16(26)4)10-19(12-23)22(28)25-20-8-6-7-17(11-20)21(27)24-5/h6-11,14H,13H2,1-5H3,(H,24,27)(H,25,28)/b19-10+