3-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Systemtic Name: 3-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine CAS Name: 3-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-[(1-ethylpyrrolidin-2-yl)methyl]amine Formula: C21H25ClN2S MolecularWeight: 372.9546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

CCN1CCCC1CNC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C21H25ClN2S/c1-2-24-11-5-6-17(24)14-23-19-13-15-12-16(22)9-10-20(15)25-21-8-4-3-7-18(19)21/h3-4,7-10,12,17,19,23H,2,5-6,11,13-14H2,1H3