3-bromanyl-11-(2-piperidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 3-bromanyl-11-(2-piperidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 3-bromo-11-[2-(1-piperidyl)ethyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 3-bromo-11-[2-(1-piperidinyl)ethyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 3-bromo-11-(2-piperidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 3-bromo-11-(2-piperidinoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C22H23BrN2S MolecularWeight: 427.40042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2(C3=C(C=C(C=C3)Br)SCC4=CC=CC=C42)C#N

Isomeric SMILES

C1CCN(CC1)CCC2(C3=C(C=C(C=C3)Br)SCC4=CC=CC=C42)C#N

InChI

InChI=1S/C22H23BrN2S/c23-18-8-9-20-21(14-18)26-15-17-6-2-3-7-19(17)22(20,16-24)10-13-25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13,15H2