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

Systemtic Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]-N-(2-furfuryl)benzamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C25H26N4O3/c1-4-11-29-17(2)13-19(18(29)3)14-20(15-26)24(30)28-23-10-6-5-9-22(23)25(31)27-16-21-8-7-12-32-21/h5-10,12-14H,4,11,16H2,1-3H3,(H,27,31)(H,28,30)/b20-14+