phenyl N-cyano-N'-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]carbamimidate Openeye Name: 1-cyano-3-(4,4-dimethyl-1,3-dioxo-7-isoquinolyl)-2-phenyl-isourea CAS Name: N-cyano-N'-(4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)carbamimidate Traditional Name: 1-cyano-3-(1,3-diketo-4,4-dimethyl-7-isoquinolyl)-2-phenyl-isourea Formula: C19H16N4O3 MolecularWeight: 348.35534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)N=C(NC#N)OC3=CC=CC=C3)C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)N=C(NC#N)OC3=CC=CC=C3)C(=O)NC1=O)C

InChI

InChI=1S/C19H16N4O3/c1-19(2)15-9-8-12(10-14(15)16(24)23-17(19)25)22-18(21-11-20)26-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,22)(H,23,24,25)