5-(1-ethylpyrazol-4-yl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(1-ethyl-4-pyrazolyl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=CC(=O)N3C(=N2)N=C(N3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C2=CC(=O)N3C(=N2)N=C(N3)CCC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O/c1-2-23-12-14(11-19-23)15-10-17(25)24-18(20-15)21-16(22-24)9-8-13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,20,21,22)