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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5O/c1-18-15-21(19(2)28(18)16-20-7-4-3-5-8-20)22(29)17-26-11-13-27(14-12-26)23-24-9-6-10-25-23/h3-10,15H,11-14,16-17H2,1-2H3