[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H27N3O4/c1-13(2)24-20(26)16-10-6-5-9-15(16)19(23-24)21(27)28-12-18(25)22-17-11-7-4-8-14(17)3/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3,(H,22,25)