4-oxidanylidene-3-propyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]phthalazine-1-carboxamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C21H20N6O2/c1-2-11-27-21(29)17-7-4-3-6-16(17)19(25-27)20(28)23-14-15-8-10-22-18(13-15)26-12-5-9-24-26/h3-10,12-13H,2,11,14H2,1H3,(H,23,28)