[2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O5/c1-19(2)16-17-32-28(35)22-13-7-6-12-21(22)26(31-32)29(36)37-18-25(33)30-24-15-9-8-14-23(24)27(34)20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3,(H,30,33)