(2-oxidanylidene-2-phenylazanyl-ethyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-2-3-13-24-20(26)17-12-8-7-11-16(17)19(23-24)21(27)28-14-18(25)22-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,22,25)