methyl 4-[[4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-[diethylamino(oxo)methyl]phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H26N4O3/c1-4-31(5-2)26(32)19-12-10-18(11-13-19)24-22-8-6-7-9-23(22)25(30-29-24)28-21-16-14-20(15-17-21)27(33)34-3/h6-17H,4-5H2,1-3H3,(H,28,30)