3-chloranyl-N-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Systemtic Name: 3-chloranyl-N-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: 3-chloro-N-[3-(1-piperidyl)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine CAS Name: 3-chloro-N-[3-(1-piperidinyl)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: 3-chloro-N-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-(3-piperidinopropyl)amine Formula: C22H27ClN2S MolecularWeight: 386.98118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CCN(CC1)CCCNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C22H27ClN2S/c23-18-9-10-21-17(15-18)16-20(19-7-2-3-8-22(19)26-21)24-11-6-14-25-12-4-1-5-13-25/h2-3,7-10,15,20,24H,1,4-6,11-14,16H2