3-(4-pyridin-4-ylpiperidin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-(4-pyridin-4-ylpiperidin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Openeye Name: 3-[4-(4-pyridyl)-1-piperidyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine CAS Name: 3-(4-pyridin-4-yl-1-piperidinyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine IUPAC Name: 3-(4-pyridin-4-ylpiperidin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Traditional Name: 3-[4-(4-pyridyl)piperidino]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)N3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)N3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O3/c1-28-19-12-17(13-20(29-2)21(19)30-3)18-14-24-26-22(25-18)27-10-6-16(7-11-27)15-4-8-23-9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3