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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N)O

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N)O

InChI

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