3-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C19H21N5O4/c1-12-10-13(2)23(21-12)9-5-8-20-16(25)11-24-18(26)15-7-4-3-6-14(15)17(22-24)19(27)28/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,25)(H,27,28)