2-chloranyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-chloro-propan-1-one CAS Name: 2-chloro-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-chloropropan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-chloro-propan-1-one Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C(C)Cl)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C(C)Cl)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H29ClN4O/c1-18-8-7-11-22(16-18)24-28-20(3)23(17-21-9-5-4-6-10-21)25(29-24)30-12-14-31(15-13-30)26(32)19(2)27/h4-11,16,19H,12-15,17H2,1-3H3