1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

COCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C21H25ClN2OS/c1-25-13-12-23-8-10-24(11-9-23)19-15-16-14-17(22)6-7-20(16)26-21-5-3-2-4-18(19)21/h2-7,14,19H,8-13,15H2,1H3