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

Systemtic Name: 3-chloranyl-N-(3-pyrrolidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: 3-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine CAS Name: 3-chloro-N-[3-(1-pyrrolidinyl)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: 3-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-(3-pyrrolidinopropyl)amine Formula: C21H25ClN2S MolecularWeight: 372.9546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CCN(C1)CCCNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C21H25ClN2S/c22-17-8-9-20-16(14-17)15-19(18-6-1-2-7-21(18)25-20)23-10-5-13-24-11-3-4-12-24/h1-2,6-9,14,19,23H,3-5,10-13,15H2