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

Systemtic Name: 11-[3-(4-ethanoyl-4-phenyl-piperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-[3-(4-acetyl-4-phenyl-1-piperidyl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-[3-(4-acetyl-4-phenyl-1-piperidinyl)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-[3-(4-acetyl-4-phenyl-piperidino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C31H32N2OS MolecularWeight: 480.66358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)CCCC2(C3=CC=CC=C3CSC4=CC=CC=C42)C#N)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)CCCC2(C3=CC=CC=C3CSC4=CC=CC=C42)C#N)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2OS/c1-24(34)30(26-11-3-2-4-12-26)17-20-33(21-18-30)19-9-16-31(23-32)27-13-6-5-10-25(27)22-35-29-15-8-7-14-28(29)31/h2-8,10-15H,9,16-22H2,1H3