methyl 4-[[6-[(3-methoxyphenyl)carbamoylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-[(3-methoxyphenyl)carbamoylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-[(3-methoxyphenyl)carbamoylamino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[6-[[(3-methoxyanilino)-oxomethyl]amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(3-methoxyphenyl)carbamoylamino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-[(3-methoxyphenyl)carbamoylamino]-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N4O5/c1-33-19-5-3-4-17(13-19)26-25(32)27-18-10-11-20-21(14-18)23(30)29-28-22(20)12-15-6-8-16(9-7-15)24(31)34-2/h3-11,13-14H,12H2,1-2H3,(H,29,30)(H2,26,27,32)