5-[5-methyl-1-(2-nitropyridin-3-yl)-1,2,3-triazol-4-yl]-2-propyl-3H-isoindol-1-one

Systemtic Name: 5-[5-methyl-1-(2-nitropyridin-3-yl)-1,2,3-triazol-4-yl]-2-propyl-3H-isoindol-1-one Openeye Name: 5-[5-methyl-1-(2-nitro-3-pyridyl)triazol-4-yl]-2-propyl-isoindolin-1-one CAS Name: 5-[5-methyl-1-(2-nitro-3-pyridinyl)-4-triazolyl]-2-propyl-3H-isoindol-1-one IUPAC Name: 5-[5-methyl-1-(2-nitropyridin-3-yl)triazol-4-yl]-2-propyl-3H-isoindol-1-one Traditional Name: 5-[5-methyl-1-(2-nitro-3-pyridyl)triazol-4-yl]-2-propyl-isoindolin-1-one Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCN1CC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N6O3/c1-3-9-23-11-14-10-13(6-7-15(14)19(23)26)17-12(2)24(22-21-17)16-5-4-8-20-18(16)25(27)28/h4-8,10H,3,9,11H2,1-2H3