5-(1-phenyl-2-piperidin-1-yl-ethyl)-1-(piperidin-1-ylmethyl)-3-(2-prop-2-enoxyphenyl)-1,2,4-triazin-6-one

Systemtic Name: 5-(1-phenyl-2-piperidin-1-yl-ethyl)-1-(piperidin-1-ylmethyl)-3-(2-prop-2-enoxyphenyl)-1,2,4-triazin-6-one Openeye Name: 3-(2-allyloxyphenyl)-5-[1-phenyl-2-(1-piperidyl)ethyl]-1-(1-piperidylmethyl)-1,2,4-triazin-6-one CAS Name: 5-[1-phenyl-2-(1-piperidinyl)ethyl]-1-(1-piperidinylmethyl)-3-(2-prop-2-enoxyphenyl)-1,2,4-triazin-6-one IUPAC Name: 5-(1-phenyl-2-piperidin-1-ylethyl)-1-(piperidin-1-ylmethyl)-3-(2-prop-2-enoxyphenyl)-1,2,4-triazin-6-one Traditional Name: 3-(2-allyloxyphenyl)-5-(1-phenyl-2-piperidino-ethyl)-1-(piperidinomethyl)-1,2,4-triazin-6-one Formula: C31H39N5O2 MolecularWeight: 513.67366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2=NN(C(=O)C(=N2)C(CN3CCCCC3)C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

C=CCOC1=CC=CC=C1C2=NN(C(=O)C(=N2)C(CN3CCCCC3)C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C31H39N5O2/c1-2-22-38-28-17-9-8-16-26(28)30-32-29(31(37)36(33-30)24-35-20-12-5-13-21-35)27(25-14-6-3-7-15-25)23-34-18-10-4-11-19-34/h2-3,6-9,14-17,27H,1,4-5,10-13,18-24H2