1-[(3S)-1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]propan-1-one

Systemtic Name: 1-[(3S)-1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]propan-1-one Openeye Name: 1-[(3S)-1-[5-(o-tolyl)-1,2,4-triazin-3-yl]-3-piperidyl]propan-1-one CAS Name: 1-[(3S)-1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-3-piperidinyl]-1-propanone IUPAC Name: 1-[(3S)-1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]propan-1-one Traditional Name: 1-[(3S)-1-[5-(o-tolyl)-1,2,4-triazin-3-yl]-3-piperidyl]propan-1-one Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC=CC=C3C

Isomeric SMILES

CCC(=O)[C@H]1CCCN(C1)C2=NC(=CN=N2)C3=CC=CC=C3C

InChI

InChI=1S/C18H22N4O/c1-3-17(23)14-8-6-10-22(12-14)18-20-16(11-19-21-18)15-9-5-4-7-13(15)2/h4-5,7,9,11,14H,3,6,8,10,12H2,1-2H3/t14-/m0/s1