[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C24H27N3O4/c1-4-5-14-27-23(29)20-9-7-6-8-19(20)21(26-27)24(30)31-17(3)22(28)25-15-18-12-10-16(2)11-13-18/h6-13,17H,4-5,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1