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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3H-phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3H-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3H-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N5O2/c1-24(12-14-11-21-25(13-14)15-7-3-2-4-8-15)20(27)18-16-9-5-6-10-17(16)19(26)23-22-18/h2-11,13H,12H2,1H3,(H,23,26)