11-[3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile hydrochloride

Systemtic Name: 11-[3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile hydrochloride Openeye Name: 11-[3-(4-hydroxy-4-phenyl-1-piperidyl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile hydrochloride CAS Name: 11-[3-(4-hydroxy-4-phenyl-1-piperidinyl)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile hydrochloride IUPAC Name: 11-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile hydrochloride Traditional Name: 11-[3-(4-hydroxy-4-phenyl-piperidino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile hydrochloride Formula: C29H31ClN2OS MolecularWeight: 491.08724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N.Cl

InChI

InChI=1S/C29H30N2OS.ClH/c30-22-28(25-12-5-4-9-23(25)21-33-27-14-7-6-13-26(27)28)15-8-18-31-19-16-29(32,17-20-31)24-10-2-1-3-11-24;/h1-7,9-14,32H,8,15-21H2;1H