1-[(E)-4-(2-bromanylpyridin-4-yl)-4-pyridin-3-yl-but-3-enyl]-4-(4-chlorophenyl)piperidin-4-ol

Systemtic Name: 1-[(E)-4-(2-bromanylpyridin-4-yl)-4-pyridin-3-yl-but-3-enyl]-4-(4-chlorophenyl)piperidin-4-ol Openeye Name: 1-[(E)-4-(2-bromo-4-pyridyl)-4-(3-pyridyl)but-3-enyl]-4-(4-chlorophenyl)piperidin-4-ol CAS Name: 1-[(E)-4-(2-bromo-4-pyridinyl)-4-(3-pyridinyl)but-3-enyl]-4-(4-chlorophenyl)-4-piperidinol IUPAC Name: 1-[(E)-4-(2-bromopyridin-4-yl)-4-pyridin-3-ylbut-3-enyl]-4-(4-chlorophenyl)piperidin-4-ol Traditional Name: 1-[(E)-4-(2-bromo-4-pyridyl)-4-(3-pyridyl)but-3-enyl]-4-(4-chlorophenyl)piperidin-4-ol Formula: C25H25BrClN3O MolecularWeight: 498.8425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrClN3O/c26-24-17-19(9-13-29-24)23(20-3-1-12-28-18-20)4-2-14-30-15-10-25(31,11-16-30)21-5-7-22(27)8-6-21/h1,3-9,12-13,17-18,31H,2,10-11,14-16H2/b23-4+