4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C27H28N4O3/c1-5-14-31-18(2)15-21(19(31)3)16-22(17-28)27(33)30-23-8-6-20(7-9-23)26(32)29-24-10-12-25(34-4)13-11-24/h6-13,15-16H,5,14H2,1-4H3,(H,29,32)(H,30,33)/b22-16+