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

Systemtic Name: 3-[3-(3-methoxypropyl)-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methyl-benzenecarbonitrile Openeye Name: 3-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-2-methyl-benzonitrile CAS Name: 3-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile IUPAC Name: 3-[3-(3-methoxypropyl)-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile Traditional Name: 3-[3-(3-methoxypropyl)-5-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-2-methyl-benzonitrile Formula: C25H23N5O MolecularWeight: 409.48302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C(=NN=C2C3=CN=C(C=C3)C4=CC=CC=C4)CCCOC)C#N

Isomeric SMILES

CC1=C(C=CC=C1N2C(=NN=C2C3=CN=C(C=C3)C4=CC=CC=C4)CCCOC)C#N

InChI

InChI=1S/C25H23N5O/c1-18-20(16-26)10-6-11-23(18)30-24(12-7-15-31-2)28-29-25(30)21-13-14-22(27-17-21)19-8-4-3-5-9-19/h3-6,8-11,13-14,17H,7,12,15H2,1-2H3