2-[(6-azanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(6-azanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(6-amino-2-keto-3,4-dihydro-1H-quinolin-7-yl)-(cyanomethyl)amino]acetonitrile Formula: C13H13N5O MolecularWeight: 255.27522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=CC(=C(C=C21)N)N(CC#N)CC#N

Isomeric SMILES

C1CC(=O)NC2=CC(=C(C=C21)N)N(CC#N)CC#N

InChI

InChI=1S/C13H13N5O/c14-3-5-18(6-4-15)12-8-11-9(7-10(12)16)1-2-13(19)17-11/h7-8H,1-2,5-6,16H2,(H,17,19)