[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C24H31N3O4/c1-16(2)15-27-23(29)20-12-8-7-11-19(20)21(26-27)24(30)31-17(3)22(28)25-14-13-18-9-5-4-6-10-18/h7-9,11-12,16-17H,4-6,10,13-15H2,1-3H3,(H,25,28)/t17-/m1/s1