ethyl 5-oxidanylidene-5-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]cyclohexyl]amino]pentanoate

Systemtic Name: ethyl 5-oxidanylidene-5-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]cyclohexyl]amino]pentanoate Openeye Name: ethyl 5-oxo-5-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]cyclohexyl]amino]pentanoate CAS Name: 5-oxo-5-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]cyclohexyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-oxo-5-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]cyclohexyl]amino]pentanoate Traditional Name: 5-keto-5-[[3-[(4-keto-3H-phthalazin-1-yl)amino]cyclohexyl]amino]valeric acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)NC1CCCC(C1)NC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CCCC(=O)NC1CCCC(C1)NC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H28N4O4/c1-2-29-19(27)12-6-11-18(26)22-14-7-5-8-15(13-14)23-20-16-9-3-4-10-17(16)21(28)25-24-20/h3-4,9-10,14-15H,2,5-8,11-13H2,1H3,(H,22,26)(H,23,24)(H,25,28)