5-(3-chlorophenyl)-2-[(S)-oxidanyl-(1-pyrimidin-2-ylpiperidin-4-yl)methyl]phenol

Systemtic Name: 5-(3-chlorophenyl)-2-[(S)-oxidanyl-(1-pyrimidin-2-ylpiperidin-4-yl)methyl]phenol Openeye Name: 5-(3-chlorophenyl)-2-[(S)-hydroxy-(1-pyrimidin-2-yl-4-piperidyl)methyl]phenol CAS Name: 5-(3-chlorophenyl)-2-[(S)-hydroxy-[1-(2-pyrimidinyl)-4-piperidinyl]methyl]phenol IUPAC Name: 5-(3-chlorophenyl)-2-[(S)-hydroxy-(1-pyrimidin-2-ylpiperidin-4-yl)methyl]phenol Traditional Name: 5-(3-chlorophenyl)-2-[(S)-hydroxy-[1-(2-pyrimidyl)-4-piperidyl]methyl]phenol Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1[C@@H](C2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)O)O)C4=NC=CC=N4

InChI

InChI=1S/C22H22ClN3O2/c23-18-4-1-3-16(13-18)17-5-6-19(20(27)14-17)21(28)15-7-11-26(12-8-15)22-24-9-2-10-25-22/h1-6,9-10,13-15,21,27-28H,7-8,11-12H2/t21-/m0/s1