3-nitro-2-(4-propylpiperidin-1-yl)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine

Systemtic Name: 3-nitro-2-(4-propylpiperidin-1-yl)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Openeye Name: 3-nitro-2-(4-propyl-1-piperidyl)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine CAS Name: 3-nitro-2-(4-propyl-1-piperidinyl)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine IUPAC Name: 3-nitro-2-(4-propylpiperidin-1-yl)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Traditional Name: 3-nitro-2-(4-propylpiperidino)-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=NC=CC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCCC1CCN(CC1)C2=NC=CC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H24N6O3/c1-2-3-16-9-12-25(13-10-16)21-20(27(28)29)19(8-11-23-21)30-18-6-4-17(5-7-18)26-15-22-14-24-26/h4-8,11,14-16H,2-3,9-10,12-13H2,1H3