5-(1,3-benzodioxol-5-yl)-3-(3-phenylmethoxypiperidin-1-yl)-1,2,4-triazine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(3-phenylmethoxypiperidin-1-yl)-1,2,4-triazine Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(3-benzyloxy-1-piperidyl)-1,2,4-triazine CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(3-phenylmethoxy-1-piperidinyl)-1,2,4-triazine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(3-phenylmethoxypiperidin-1-yl)-1,2,4-triazine Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(3-benzoxypiperidino)-1,2,4-triazine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3/c1-2-5-16(6-3-1)14-27-18-7-4-10-26(13-18)22-24-19(12-23-25-22)17-8-9-20-21(11-17)29-15-28-20/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2