N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C4CCCCC4)C

InChI

InChI=1S/C28H37N5O/c1-22-23(2)33(25-13-7-4-8-14-25)28(26(22)20-29)30-27(34)21-32-18-16-31(17-19-32)15-9-12-24-10-5-3-6-11-24/h3,5-6,9-12,25H,4,7-8,13-19,21H2,1-2H3,(H,30,34)/b12-9+