5-(azepan-1-ylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(azepan-1-ylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(azepan-1-ylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(1-azepanylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(azepan-1-ylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(azepan-1-ylmethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5O/c24-16-12-15(13-22-10-6-1-2-7-11-22)19-18-20-17(21-23(16)18)14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,19,20,21)