ethanedioic acid; 6-phenyl-N-(2-piperidin-1-ylethyl)-2,5-dihydro-1,2,4-triazin-3-amine

Systemtic Name: ethanedioic acid; 6-phenyl-N-(2-piperidin-1-ylethyl)-2,5-dihydro-1,2,4-triazin-3-amine Openeye Name: oxalic acid; 6-phenyl-N-[2-(1-piperidyl)ethyl]-2,5-dihydro-1,2,4-triazin-3-amine CAS Name: oxalic acid; 6-phenyl-N-[2-(1-piperidinyl)ethyl]-2,5-dihydro-1,2,4-triazin-3-amine IUPAC Name: oxalic acid; 6-phenyl-N-(2-piperidin-1-ylethyl)-2,5-dihydro-1,2,4-triazin-3-amine Traditional Name: oxalic acid; (6-phenyl-2,5-dihydro-1,2,4-triazin-3-yl)-(2-piperidinoethyl)amine Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NCC(=NN2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCNC2=NCC(=NN2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N5.C2H2O4/c1-3-7-14(8-4-1)15-13-18-16(20-19-15)17-9-12-21-10-5-2-6-11-21;3-1(4)2(5)6/h1,3-4,7-8H,2,5-6,9-13H2,(H2,17,18,20);(H,3,4)(H,5,6)