8-chloranyl-6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine

Systemtic Name: 8-chloranyl-6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Openeye Name: 8-chloro-6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine CAS Name: 8-chloro-6-(1-piperazinyl)-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine IUPAC Name: 8-chloro-6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Traditional Name: 8-chloro-6-piperazino-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CN3C=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1)C2CN3C=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C16H18ClN3S/c17-12-3-4-15-13(10-12)14(19-8-5-18-6-9-19)11-20-7-1-2-16(20)21-15/h1-4,7,10,14,18H,5-6,8-9,11H2