1-[5-[[4-(diethylamino)phenyl]methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[5-[[4-(diethylamino)phenyl]methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[5-[[4-(diethylamino)phenyl]methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[5-[[4-(diethylamino)phenyl]methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[5-[[4-(diethylamino)phenyl]methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[5-[[4-(diethylamino)benzyl]amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC)C3=CN=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC)C3=CN=CC=C3

InChI

InChI=1S/C21H26N6O2/c1-4-26(5-2)18-10-8-16(9-11-18)13-23-21-24-20(17-7-6-12-22-14-17)25-27(21)19(28)15-29-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,24,25)