1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(homoveratrylamino)propan-2-ol Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C30H39N3O3/c1-35-28-14-13-24(21-29(28)36-2)15-16-31-22-27(34)23-32-17-19-33(20-18-32)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,27,30-31,34H,15-20,22-23H2,1-2H3