4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine

Systemtic Name: 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine Openeye Name: 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine CAS Name: 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine IUPAC Name: 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine Traditional Name: 4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

Isomeric SMILES

CN1CCC(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C21H25NOS/c1-22-11-9-15(10-12-22)18-13-16-5-3-4-6-20(16)24-21-8-7-17(23-2)14-19(18)21/h3-8,14-15,18H,9-13H2,1-2H3