N-[3-(3-methoxypropyl)-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methyl-benzamide

Systemtic Name: N-[3-(3-methoxypropyl)-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methyl-benzamide Openeye Name: N-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-2-methyl-benzamide CAS Name: N-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-2-methylbenzamide IUPAC Name: N-[3-(3-methoxypropyl)-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methylbenzamide Traditional Name: N-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-2-methyl-benzamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN2C(=NN=C2C3=CN=C(C=C3)C4=CC=CC=C4)CCCOC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NN2C(=NN=C2C3=CN=C(C=C3)C4=CC=CC=C4)CCCOC

InChI

InChI=1S/C25H25N5O2/c1-18-9-6-7-12-21(18)25(31)29-30-23(13-8-16-32-2)27-28-24(30)20-14-15-22(26-17-20)19-10-4-3-5-11-19/h3-7,9-12,14-15,17H,8,13,16H2,1-2H3,(H,29,31)