3-(9,9-dimethyl-7-oxidanylidene-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propanenitrile

Systemtic Name: 3-(9,9-dimethyl-7-oxidanylidene-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propanenitrile Openeye Name: 3-(9,9-dimethyl-7-oxo-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propanenitrile CAS Name: 3-(9,9-dimethyl-7-oxo-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propanenitrile IUPAC Name: 3-(9,9-dimethyl-7-oxo-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propanenitrile Traditional Name: 3-(7-keto-9,9-dimethyl-8,10-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propionitrile Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=NC3=CC=CC=C3N2CCC#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=NC3=CC=CC=C3N2CCC#N)C(=O)C1)C

InChI

InChI=1S/C18H19N3O/c1-18(2)10-16-13(17(22)11-18)12-20-14-6-3-4-7-15(14)21(16)9-5-8-19/h3-4,6-7,12H,5,9-11H2,1-2H3