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

Systemtic Name: methyl 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H23N3O4/c1-4-5-12-25-21(27)17-9-7-6-8-16(17)19(24-25)20(26)23-18-13-15(22(28)29-3)11-10-14(18)2/h6-11,13H,4-5,12H2,1-3H3,(H,23,26)