2-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 2-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-2-chloro-2-phenyl-ethanone CAS Name: 2-chloro-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-chloro-2-phenylethanone Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-2-chloro-2-phenyl-ethanone Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O/c1-18-22(17-20-9-5-3-6-10-20)24(28-19(2)27-18)29-13-15-30(16-14-29)25(31)23(26)21-11-7-4-8-12-21/h3-12,23H,13-17H2,1-2H3