N-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]phthalazine-1-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-23-21(29)20-18-10-6-7-11-19(18)22(30)28(25-20)15-26(2)13-16-12-24-27(14-16)17-8-4-3-5-9-17/h3-12,14H,13,15H2,1-2H3,(H,23,29)