(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H21N3O4/c1-24-21(27)18-7-3-2-6-17(18)19(23-24)22(28)29-14-15-8-10-16(11-9-15)20(26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3