N-(isoquinolin-5-ylmethyl)-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine

Systemtic Name: N-(isoquinolin-5-ylmethyl)-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine Openeye Name: N-(5-isoquinolylmethyl)-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine CAS Name: N-(5-isoquinolinylmethyl)-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine IUPAC Name: N-(isoquinolin-5-ylmethyl)-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine Traditional Name: 5-isoquinolylmethyl-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-methyl-amine Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C3=NC(=CN=N3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C3=NC(=CN=N3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H19N5O/c1-26(14-17-7-3-6-16-12-22-10-9-19(16)17)21-24-20(13-23-25-21)15-5-4-8-18(11-15)27-2/h3-13H,14H2,1-2H3