2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O4/c1-12-8-19(24-23-12)22-20-14-4-2-3-5-15(14)21(28)26(25-20)10-16(27)13-6-7-17-18(9-13)30-11-29-17/h2-9H,10-11H2,1H3,(H2,22,23,24,25)