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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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