[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C22H31N3O4/c1-5-13-25-21(27)18-12-7-6-11-17(18)20(24-25)22(28)29-14-19(26)23-16(4)10-8-9-15(2)3/h6-7,11-12,15-16H,5,8-10,13-14H2,1-4H3,(H,23,26)