3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 3-(p-tolyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 3-(p-tolyl)-1-[4-(2-pyrimidyl)piperazino]-3-pyrrol-1-yl-propan-1-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=CC=C4

InChI

InChI=1S/C22H25N5O/c1-18-5-7-19(8-6-18)20(25-11-2-3-12-25)17-21(28)26-13-15-27(16-14-26)22-23-9-4-10-24-22/h2-12,20H,13-17H2,1H3