(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: 1-(phenylcarbamoyl)propyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid 1-(phenylcarbamoyl)propyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C21H20N4O5/c1-2-16(20(28)23-13-8-4-3-5-9-13)30-17(26)12-25-21(29)15-11-7-6-10-14(15)18(24-25)19(22)27/h3-11,16H,2,12H2,1H3,(H2,22,27)(H,23,28)