5-[(3-chlorophenyl)methyl]-2-[4-(diphenylmethyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-2-[4-(diphenylmethyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-5-[(3-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3-chlorophenyl)methyl]-2-[4-(diphenylmethyl)-1-piperazinyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-5-[(3-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-5-(3-chlorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C29H29ClN4O MolecularWeight: 485.01976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H29ClN4O/c1-21-26(20-22-9-8-14-25(30)19-22)28(35)32-29(31-21)34-17-15-33(16-18-34)27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-14,19,27H,15-18,20H2,1H3,(H,31,32,35)