1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[(3S)-3-[5-(2-chlorophenyl)-4-pyrimidinyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[(3S)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidino]-2-phenyl-ethanone Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C3=NC=NC=C3C4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=CC=CC=C2)C3=NC=NC=C3C4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O/c24-21-11-5-4-10-19(21)20-14-25-16-26-23(20)18-9-6-12-27(15-18)22(28)13-17-7-2-1-3-8-17/h1-5,7-8,10-11,14,16,18H,6,9,12-13,15H2/t18-/m0/s1