1-[4-[(4-methoxyphenyl)-phenanthren-9-yl-methyl]phenoxy]-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[4-[(4-methoxyphenyl)-phenanthren-9-yl-methyl]phenoxy]-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]propan-2-ol CAS Name: 1-[4-[(4-methoxyphenyl)-(9-phenanthrenyl)methyl]phenoxy]-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[4-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]propan-2-ol Traditional Name: 1-(4-benzylpiperazino)-3-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]propan-2-ol Formula: C42H42N2O3 MolecularWeight: 622.79448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)C5=CC6=CC=CC=C6C7=CC=CC=C75

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)C5=CC6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C42H42N2O3/c1-46-36-19-15-32(16-20-36)42(41-27-34-11-5-6-12-38(34)39-13-7-8-14-40(39)41)33-17-21-37(22-18-33)47-30-35(45)29-44-25-23-43(24-26-44)28-31-9-3-2-4-10-31/h2-22,27,35,42,45H,23-26,28-30H2,1H3