2-[4-[(7-oxidanylidene-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide

Systemtic Name: 2-[4-[(7-oxidanylidene-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide Openeye Name: 2-[4-[(7-oxo-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide CAS Name: 2-[4-[(7-oxo-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide IUPAC Name: 2-[4-[(7-oxo-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide Traditional Name: 2-[4-[(7-keto-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)methyl]phenyl]benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C2N1C=NN2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N

Isomeric SMILES

CCCC1=C(C(=O)N=C2N1C=NN2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N

InChI

InChI=1S/C22H21N5O2/c1-2-5-19-18(21(29)25-22-26-24-13-27(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20(23)28/h3-4,6-11,13H,2,5,12H2,1H3,(H2,23,28)(H,25,26,29)