butyl 4-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate Traditional Name: 4-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid butyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C24H27N3O4/c1-4-5-14-31-24(30)17-10-12-18(13-11-17)25-22(28)21-19-8-6-7-9-20(19)23(29)27(26-21)15-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,28)