methyl 4-[[4-[(4-methoxycarbonylphthalazin-1-yl)amino]phenyl]amino]phthalazine-1-carboxylate

Systemtic Name: methyl 4-[[4-[(4-methoxycarbonylphthalazin-1-yl)amino]phenyl]amino]phthalazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-methoxycarbonylphthalazin-1-yl)amino]anilino]phthalazine-1-carboxylate CAS Name: 4-[4-[(4-methoxycarbonyl-1-phthalazinyl)amino]anilino]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-methoxycarbonylphthalazin-1-yl)amino]anilino]phthalazine-1-carboxylate Traditional Name: 4-[4-[(4-carbomethoxyphthalazin-1-yl)amino]anilino]phthalazine-1-carboxylic acid methyl ester Formula: C26H20N6O4 MolecularWeight: 480.4748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)NC4=NN=C(C5=CC=CC=C54)C(=O)OC

Isomeric SMILES

COC(=O)C1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)NC4=NN=C(C5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C26H20N6O4/c1-35-25(33)21-17-7-3-5-9-19(17)23(31-29-21)27-15-11-13-16(14-12-15)28-24-20-10-6-4-8-18(20)22(30-32-24)26(34)36-2/h3-14H,1-2H3,(H,27,31)(H,28,32)