5-(2-methylphenyl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine

Systemtic Name: 5-(2-methylphenyl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine Openeye Name: 5-(o-tolyl)-3-[(3S)-3-(3-pyridylmethoxy)-1-piperidyl]-1,2,4-triazine CAS Name: 5-(2-methylphenyl)-3-[(3S)-3-(3-pyridinylmethoxy)-1-piperidinyl]-1,2,4-triazine IUPAC Name: 5-(2-methylphenyl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine Traditional Name: 5-(o-tolyl)-3-[(3S)-3-(3-pyridylmethoxy)piperidino]-1,2,4-triazine Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCCC(C3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCC[C@@H](C3)OCC4=CN=CC=C4

InChI

InChI=1S/C21H23N5O/c1-16-6-2-3-9-19(16)20-13-23-25-21(24-20)26-11-5-8-18(14-26)27-15-17-7-4-10-22-12-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3/t18-/m0/s1