4-oxidanylidene-3-pentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phthalazine-1-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NN=C4N3C=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-2-3-7-13-27-21(29)16-10-5-4-9-15(16)19(25-27)20(28)22-14-18-24-23-17-11-6-8-12-26(17)18/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,22,28)