ethyl 3-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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