1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(1,4-diazepan-1-ylmethyl)piperidin-4-ol

Systemtic Name: 1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(1,4-diazepan-1-ylmethyl)piperidin-4-ol Openeye Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(1,4-diazepan-1-ylmethyl)piperidin-4-ol CAS Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(1,4-diazepan-1-ylmethyl)-4-piperidinol IUPAC Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(1,4-diazepan-1-ylmethyl)piperidin-4-ol Traditional Name: 1-[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]-4-(1,4-diazepan-1-ylmethyl)piperidin-4-ol Formula: C25H33BrClN3O2 MolecularWeight: 522.90542

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2(CCN(CC2)CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CNCCN(C1)CC2(CCN(CC2)CC3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C25H33BrClN3O2/c26-22-4-7-24(32-18-20-2-5-23(27)6-3-20)21(16-22)17-29-13-8-25(31,9-14-29)19-30-12-1-10-28-11-15-30/h2-7,16,28,31H,1,8-15,17-19H2