6-nitro-4-(pyridin-3-ylmethyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine

Systemtic Name: 6-nitro-4-(pyridin-3-ylmethyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine Openeye Name: 6-nitro-4-(3-pyridylmethyl)-2-[4-(4-pyridylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine CAS Name: 6-nitro-4-(3-pyridinylmethyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine IUPAC Name: 6-nitro-4-(pyridin-3-ylmethyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine Traditional Name: 6-nitro-4-(3-pyridylmethyl)-2-[4-(4-pyridylmethyl)phenyl]-3,5-dihydro-1,2,4-triazine Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CC2=CN=CC=C2)C3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CC2=CN=CC=C2)C3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O2/c28-27(29)21-15-25(14-19-2-1-9-23-13-19)16-26(24-21)20-5-3-17(4-6-20)12-18-7-10-22-11-8-18/h1-11,13H,12,14-16H2