1,3-bis[3-(2-azanyl-3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea

Systemtic Name: 1,3-bis[3-(2-azanyl-3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea Openeye Name: 1,3-bis[3-(2-amino-3-cyano-5-oxo-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea CAS Name: 1,3-bis[3-(2-amino-3-cyano-5-oxo-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea IUPAC Name: 1,3-bis[3-(2-amino-3-cyano-5-oxo-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea Traditional Name: 1,3-bis[3-(2-amino-3-cyano-5-keto-7,8-dihydro-6H-quinolin-4-yl)phenyl]urea Formula: C33H26N8O3 MolecularWeight: 582.61134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C5=C(C(=NC6=C5C(=O)CCC6)N)C#N

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C5=C(C(=NC6=C5C(=O)CCC6)N)C#N

InChI

InChI=1S/C33H26N8O3/c34-15-21-27(29-23(40-31(21)36)9-3-11-25(29)42)17-5-1-7-19(13-17)38-33(44)39-20-8-2-6-18(14-20)28-22(16-35)32(37)41-24-10-4-12-26(43)30(24)28/h1-2,5-8,13-14H,3-4,9-12H2,(H2,36,40)(H2,37,41)(H2,38,39,44)