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

Systemtic Name: 11-[3-(4-phenylpiperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-[3-(4-phenyl-1-piperidyl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-[3-(4-phenyl-1-piperidinyl)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-[3-(4-phenylpiperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-[3-(4-phenylpiperidino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C29H30N2S MolecularWeight: 438.6269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

InChI

InChI=1S/C29H30N2S/c30-22-29(17-8-18-31-19-15-24(16-20-31)23-9-2-1-3-10-23)26-12-5-4-11-25(26)21-32-28-14-7-6-13-27(28)29/h1-7,9-14,24H,8,15-21H2