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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C24H27N7O MolecularWeight: 429.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N7O/c1-18-19(2)31(16-20-7-4-3-5-8-20)23(21(18)15-25)28-22(32)17-29-11-13-30(14-12-29)24-26-9-6-10-27-24/h3-10H,11-14,16-17H2,1-2H3,(H,28,32)