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

Systemtic Name: methyl 3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C22H22N4O4/c1-25-21(28)16-8-4-3-7-15(16)19(24-25)20(27)23-17-13-14(22(29)30-2)9-10-18(17)26-11-5-6-12-26/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,23,27)