6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[b][1,4]benzothiazepine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[b][1,4]benzothiazepine Openeye Name: 2-benzyloxy-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine CAS Name: 6-(4-methyl-1-piperazinyl)-2-phenylmethoxybenzo[b][1,4]benzothiazepine IUPAC Name: 6-(4-methylpiperazin-1-yl)-2-phenylmethoxybenzo[b][1,4]benzothiazepine Traditional Name: 2-benzoxy-6-(4-methylpiperazino)benzo[b][1,4]benzothiazepine Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)OCC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)OCC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C25H25N3OS/c1-27-13-15-28(16-14-27)25-21-9-5-6-10-23(21)30-24-17-20(11-12-22(24)26-25)29-18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3