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

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-4-25(17-10-6-5-7-11-17)20(27)15-30-23(29)21-18-12-8-9-13-19(18)22(28)26(24-21)14-16(2)3/h8-10,12-13,16H,4-7,11,14-15H2,1-3H3