6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde

Systemtic Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde Openeye Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde CAS Name: 6-(4-methyl-1-piperazinyl)-3-pyrrolo[2,1-b][1,3]benzothiazepinecarboxaldehyde IUPAC Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde Traditional Name: 6-(4-methylpiperazino)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN3C(=CC=C3SC4=CC=CC=C42)C=O

Isomeric SMILES

CN1CCN(CC1)C2=CN3C(=CC=C3SC4=CC=CC=C42)C=O

InChI

InChI=1S/C18H19N3OS/c1-19-8-10-20(11-9-19)16-12-21-14(13-22)6-7-18(21)23-17-5-3-2-4-15(16)17/h2-7,12-13H,8-11H2,1H3