6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde

Systemtic Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde Openeye Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde CAS Name: 6-(4-methyl-1-piperazinyl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarboxaldehyde IUPAC Name: 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde Traditional Name: 6-(4-methylpiperazino)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(N3C(=CC=C3SC4=CC=CC=C42)C=O)C=O

Isomeric SMILES

CN1CCN(CC1)C2=C(N3C(=CC=C3SC4=CC=CC=C42)C=O)C=O

InChI

InChI=1S/C19H19N3O2S/c1-20-8-10-21(11-9-20)19-15-4-2-3-5-17(15)25-18-7-6-14(12-23)22(18)16(19)13-24/h2-7,12-13H,8-11H2,1H3