[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=CC=C3C(C)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=CC=C3C(C)CC

InChI

InChI=1S/C25H29N3O4/c1-5-15-28-24(30)20-13-8-7-12-19(20)22(27-28)25(31)32-17(4)23(29)26-21-14-10-9-11-18(21)16(3)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,26,29)