4-ethoxy-11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 4-ethoxy-11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 4-ethoxy-11-[3-(1-piperidyl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 4-ethoxy-11-[3-(1-piperidinyl)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 4-ethoxy-11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 4-ethoxy-11-(3-piperidinopropyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1SCC3=CC=CC=C3C2(CCCN4CCCCC4)C#N

Isomeric SMILES

CCOC1=CC=CC2=C1SCC3=CC=CC=C3C2(CCCN4CCCCC4)C#N

InChI

InChI=1S/C25H30N2OS/c1-2-28-23-13-8-12-22-24(23)29-18-20-10-4-5-11-21(20)25(22,19-26)14-9-17-27-15-6-3-7-16-27/h4-5,8,10-13H,2-3,6-7,9,14-18H2,1H3