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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

InChI

InChI=1S/C30H32N2OS/c31-23-30(26-12-5-4-11-25(26)22-34-28-14-7-6-13-27(28)30)15-8-18-32-19-16-29(33,17-20-32)21-24-9-2-1-3-10-24/h1-7,9-14,33H,8,15-22H2