N-(3-methylbutyl)-3-[5-oxidanylidene-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propanamide

Systemtic Name: N-(3-methylbutyl)-3-[5-oxidanylidene-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propanamide Openeye Name: N-isopentyl-3-[5-oxo-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propanamide CAS Name: N-(3-methylbutyl)-3-[5-oxo-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propanamide IUPAC Name: N-(3-methylbutyl)-3-[5-oxo-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propanamide Traditional Name: N-isoamyl-3-[5-keto-3-(4-propoxyphenyl)-2H-1,2,4-triazin-6-yl]propionamide Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)NCCC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)NCCC(C)C

InChI

InChI=1S/C20H28N4O3/c1-4-13-27-16-7-5-15(6-8-16)19-22-20(26)17(23-24-19)9-10-18(25)21-12-11-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,21,25)(H,22,24,26)