N-[(E)-1-(4-azidophenyl)-3-(4,4-dimethoxybutylamino)-3-oxidanylidene-prop-1-en-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(E)-1-(4-azidophenyl)-3-(4,4-dimethoxybutylamino)-3-oxidanylidene-prop-1-en-2-yl]pyridine-3-carboxamide Openeye Name: N-[(E)-2-(4-azidophenyl)-1-(4,4-dimethoxybutylcarbamoyl)vinyl]pyridine-3-carboxamide CAS Name: N-[(E)-1-(4-azidophenyl)-3-(4,4-dimethoxybutylamino)-3-oxoprop-1-en-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(E)-1-(4-azidophenyl)-3-(4,4-dimethoxybutylamino)-3-oxoprop-1-en-2-yl]pyridine-3-carboxamide Traditional Name: N-[(E)-2-(4-azidophenyl)-1-(4,4-dimethoxybutylcarbamoyl)vinyl]nicotinamide Formula: C21H24N6O4 MolecularWeight: 424.45306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CCCNC(=O)C(=CC1=CC=C(C=C1)N=[N+]=[N-])NC(=O)C2=CN=CC=C2)OC

Isomeric SMILES

COC(CCCNC(=O)/C(=C\C1=CC=C(C=C1)N=[N+]=[N-])/NC(=O)C2=CN=CC=C2)OC

InChI

InChI=1S/C21H24N6O4/c1-30-19(31-2)6-4-12-24-21(29)18(25-20(28)16-5-3-11-23-14-16)13-15-7-9-17(10-8-15)26-27-22/h3,5,7-11,13-14,19H,4,6,12H2,1-2H3,(H,24,29)(H,25,28)/b18-13+