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

Systemtic Name: 3-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 3-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-propan-1-one CAS Name: 3-(3-methoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(1-pyrrolyl)-1-propanone IUPAC Name: 3-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 3-(3-methoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]-3-pyrrol-1-yl-propan-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(CC(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-29-19-7-4-6-18(16-19)20(25-10-2-3-11-25)17-21(28)26-12-14-27(15-13-26)22-23-8-5-9-24-22/h2-11,16,20H,12-15,17H2,1H3