4-(4-chlorophenyl)-1-[(E)-4-pyridin-3-yl-4-pyrimidin-5-yl-but-3-enyl]piperidin-4-ol

Systemtic Name: 4-(4-chlorophenyl)-1-[(E)-4-pyridin-3-yl-4-pyrimidin-5-yl-but-3-enyl]piperidin-4-ol Openeye Name: 4-(4-chlorophenyl)-1-[(E)-4-(3-pyridyl)-4-pyrimidin-5-yl-but-3-enyl]piperidin-4-ol CAS Name: 4-(4-chlorophenyl)-1-[(E)-4-(3-pyridinyl)-4-(5-pyrimidinyl)but-3-enyl]-4-piperidinol IUPAC Name: 4-(4-chlorophenyl)-1-[(E)-4-pyridin-3-yl-4-pyrimidin-5-ylbut-3-enyl]piperidin-4-ol Traditional Name: 4-(4-chlorophenyl)-1-[(E)-4-(3-pyridyl)-4-(5-pyrimidyl)but-3-enyl]piperidin-4-ol Formula: C24H25ClN4O MolecularWeight: 420.9345

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC=C(C3=CN=CC=C3)C4=CN=CN=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC/C=C(\C3=CN=CC=C3)/C4=CN=CN=C4

InChI

InChI=1S/C24H25ClN4O/c25-22-7-5-21(6-8-22)24(30)9-13-29(14-10-24)12-2-4-23(19-3-1-11-26-15-19)20-16-27-18-28-17-20/h1,3-8,11,15-18,30H,2,9-10,12-14H2/b23-4+