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

Systemtic Name: 11-[3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-[3-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-[3-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-[3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-[3-[4-(4-bromophenyl)-4-hydroxy-piperidino]propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C29H29BrN2OS MolecularWeight: 533.52236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN2OS/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-34-27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2