tert-butyl N-[(E)-5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pent-3-enyl]carbamate

Systemtic Name: tert-butyl N-[(E)-5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pent-3-enyl]carbamate Openeye Name: tert-butyl N-[(E)-5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pent-3-enyl]carbamate CAS Name: N-[(E)-5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pent-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pent-3-enyl]carbamate Traditional Name: N-[(E)-5-keto-5-[3-(4-keto-3H-phthalazin-1-yl)anilino]pent-3-enyl]carbamic acid tert-butyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC=CC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NCC/C=C/C(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C24H26N4O4/c1-24(2,3)32-23(31)25-14-7-6-13-20(29)26-17-10-8-9-16(15-17)21-18-11-4-5-12-19(18)22(30)28-27-21/h4-6,8-13,15H,7,14H2,1-3H3,(H,25,31)(H,26,29)(H,28,30)/b13-6+