(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H21N5O4/c1-2-3-8-13-26-20(28)16-10-5-4-9-15(16)19(24-26)22(30)31-14-27-21(29)17-11-6-7-12-18(17)23-25-27/h4-7,9-12H,2-3,8,13-14H2,1H3