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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C#N)C2=CN=C(C=C2)C3=CC=CC=C3)N4C=NN=C4)CCCOC

Isomeric SMILES

CC1=C(C(=C(C=C1C#N)C2=CN=C(C=C2)C3=CC=CC=C3)N4C=NN=C4)CCCOC

InChI

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