3-(5-methanoyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propanenitrile

Systemtic Name: 3-(5-methanoyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propanenitrile Openeye Name: 3-(5-formyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propanenitrile CAS Name: 3-(5-formyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propanenitrile IUPAC Name: 3-(5-formyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propanenitrile Traditional Name: 3-(5-formyl-6,11-dihydrobenzo[c][1,6]benzodiazocin-12-yl)propionitrile Formula: C18H17N3O MolecularWeight: 291.34708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN(C3=CC=CC=C3N1CCC#N)C=O

Isomeric SMILES

C1C2=CC=CC=C2CN(C3=CC=CC=C3N1CCC#N)C=O

InChI

InChI=1S/C18H17N3O/c19-10-5-11-20-12-15-6-1-2-7-16(15)13-21(14-22)18-9-4-3-8-17(18)20/h1-4,6-9,14H,5,11-13H2