4-(4-cyanophenyl)-2,5-dimethyl-1-[(5-oxidanylpyridin-2-yl)methyl]pyrrole-3-carbonitrile

Systemtic Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-[(5-oxidanylpyridin-2-yl)methyl]pyrrole-3-carbonitrile Openeye Name: 4-(4-cyanophenyl)-1-[(5-hydroxy-2-pyridyl)methyl]-2,5-dimethyl-pyrrole-3-carbonitrile CAS Name: 4-(4-cyanophenyl)-1-[(5-hydroxy-2-pyridinyl)methyl]-2,5-dimethyl-3-pyrrolecarbonitrile IUPAC Name: 4-(4-cyanophenyl)-1-[(5-hydroxypyridin-2-yl)methyl]-2,5-dimethylpyrrole-3-carbonitrile Traditional Name: 4-(4-cyanophenyl)-1-[(5-hydroxy-2-pyridyl)methyl]-2,5-dimethyl-pyrrole-3-carbonitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=NC=C(C=C2)O)C)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=NC=C(C=C2)O)C)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C20H16N4O/c1-13-19(10-22)20(16-5-3-15(9-21)4-6-16)14(2)24(13)12-17-7-8-18(25)11-23-17/h3-8,11,25H,12H2,1-2H3