3-[4-(8-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)piperidin-1-yl]propanenitrile

Systemtic Name: 3-[4-(8-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)piperidin-1-yl]propanenitrile Openeye Name: 3-[4-(8-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-1-piperidyl]propanenitrile CAS Name: 3-[4-(8-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)-1-piperidinyl]propanenitrile IUPAC Name: 3-[4-(8-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)piperidin-1-yl]propanenitrile Traditional Name: 3-[4-(8-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)piperidino]propionitrile Formula: C21H22ClN3S MolecularWeight: 383.93748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42)CCC#N

Isomeric SMILES

C1CN(CCC1N2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42)CCC#N

InChI

InChI=1S/C21H22ClN3S/c22-17-6-7-20-16(14-17)15-25(19-4-1-2-5-21(19)26-20)18-8-12-24(13-9-18)11-3-10-23/h1-2,4-7,14,18H,3,8-9,11-13,15H2