N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-(2-ethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-o-phenetylpiperazino)acetamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

InChI

InChI=1S/C28H33N5O2/c1-4-35-26-13-9-8-12-25(26)32-16-14-31(15-17-32)20-27(34)30-28-24(18-29)21(2)22(3)33(28)19-23-10-6-5-7-11-23/h5-13H,4,14-17,19-20H2,1-3H3,(H,30,34)