[4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-yl-piperazin-1-yl]methanone

Systemtic Name: [4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-yl-piperazin-1-yl]methanone Openeye Name: [4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-yl-piperazin-1-yl]methanone CAS Name: [4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone Traditional Name: [4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-(2-pyrimidyl)piperazino]methanone Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C22H21ClN4O/c1-16-15-26(22-24-11-2-12-25-22)13-14-27(16)21(28)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h2-12,16H,13-15H2,1H3/t16-/m0/s1