ethyl 4-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C25H22N4O4/c1-2-33-25(32)18-7-9-19(10-8-18)27-23(30)16-29-24(31)21-6-4-3-5-20(21)22(28-29)15-17-11-13-26-14-12-17/h3-14H,2,15-16H2,1H3,(H,27,30)