3-[3-(4-butan-2-yloxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[3-(4-butan-2-yloxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[5-oxo-3-(4-sec-butoxyphenyl)-2H-1,2,4-triazin-6-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[3-(4-butan-2-yloxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[3-(4-butan-2-yloxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[5-keto-3-(4-sec-butoxyphenyl)-2H-1,2,4-triazin-6-yl]-N-(3-pyridylmethyl)propionamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)NCC3=CN=CC=C3

InChI

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