methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(4-carbamoyl-1-oxo-2-phthalazinyl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C20H18N4O5/c1-11-7-8-12(20(28)29-2)9-15(11)22-16(25)10-24-19(27)14-6-4-3-5-13(14)17(23-24)18(21)26/h3-9H,10H2,1-2H3,(H2,21,26)(H,22,25)