3-chloranyl-1'-phenethyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one

Systemtic Name: 3-chloranyl-1'-phenethyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Openeye Name: 3-chloro-1'-phenethyl-spiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one CAS Name: 3-chloro-1'-phenethyl-5-spiro[benzo[b][1]benzothiepin-6,4'-piperidine]one IUPAC Name: 3-chloro-1'-phenethylspiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one Traditional Name: 3-chloro-1'-phenethyl-spiro[benzo[b][1]benzothiepin-6,4'-piperidine]-5-one Formula: C26H24ClNOS MolecularWeight: 433.99286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3SC4=C(C2=O)C=C(C=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C26H24ClNOS/c27-20-10-11-23-21(18-20)25(29)26(22-8-4-5-9-24(22)30-23)13-16-28(17-14-26)15-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2