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

Systemtic Name: 6-(2-chlorophenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(2-chlorophenyl)-1H-pyrimidin-4-one CAS Name: 6-(2-chlorophenyl)-2-[4-(diphenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(2-chlorophenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-6-(2-chlorophenyl)-1H-pyrimidin-4-one Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=O)C=C(N2)C3=CC=CC=C3Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC(=O)C=C(N2)C3=CC=CC=C3Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4O/c28-23-14-8-7-13-22(23)24-19-25(33)30-27(29-24)32-17-15-31(16-18-32)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,26H,15-18H2,(H,29,30,33)