6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazino]-1H-pyrimidin-4-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-28-18-4-2-3-17(13-18)25-9-11-26(12-10-25)21-23-19(14-20(27)24-21)15-5-7-16(22)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24,27)