11-[3-[4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 11-[3-[4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-[3-[4-hydroxy-4-(o-tolyl)-1-piperidyl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-[3-[4-hydroxy-4-(2-methylphenyl)-1-piperidinyl]propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-[3-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-[3-[4-hydroxy-4-(o-tolyl)piperidino]propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C30H32N2OS MolecularWeight: 468.65288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N)O

Isomeric SMILES

CC1=CC=CC=C1C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N)O

InChI

InChI=1S/C30H32N2OS/c1-23-9-2-4-11-25(23)30(33)16-19-32(20-17-30)18-8-15-29(22-31)26-12-5-3-10-24(26)21-34-28-14-7-6-13-27(28)29/h2-7,9-14,33H,8,15-21H2,1H3