[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[1-cyclohexenyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[cyclohexen-1-yl(propyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H25N3O4/c1-3-13-24(15-9-5-4-6-10-15)18(25)14-28-21(27)19-16-11-7-8-12-17(16)20(26)23(2)22-19/h7-9,11-12H,3-6,10,13-14H2,1-2H3