[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-14(2)12-25-21(27)18-10-5-4-9-17(18)20(24-25)22(28)30-13-19(26)23-15-7-6-8-16(11-15)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,26)