2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H37N5O3/c1-20-21(2)33(23-8-10-24(36-3)11-9-23)27(25(20)18-29)30-26(34)19-31-16-12-22(13-17-31)28(35)32-14-6-4-5-7-15-32/h8-11,22H,4-7,12-17,19H2,1-3H3,(H,30,34)