1-[1-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol

Systemtic Name: 1-[1-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol Openeye Name: 1-[1-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexanol CAS Name: 1-[1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1-cyclohexanol IUPAC Name: 1-[1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol Traditional Name: 1-[1-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-(4-methylpiperazino)ethyl]cyclohexanol Formula: C27H37BrN2O3 MolecularWeight: 517.49828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4(CCCCC4)O

Isomeric SMILES

CN1CCN(CC1)CC(C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4(CCCCC4)O

InChI

InChI=1S/C27H37BrN2O3/c1-29-13-15-30(16-14-29)19-23(27(31)11-7-4-8-12-27)22-17-24(28)26(25(18-22)32-2)33-20-21-9-5-3-6-10-21/h3,5-6,9-10,17-18,23,31H,4,7-8,11-16,19-20H2,1-2H3