4-(4-cyanophenyl)-5-(hydroxymethyl)-2-methyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonitrile

Systemtic Name: 4-(4-cyanophenyl)-5-(hydroxymethyl)-2-methyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonitrile Openeye Name: 4-(4-cyanophenyl)-5-(hydroxymethyl)-2-methyl-1-(3-pyridylmethyl)pyrrole-3-carbonitrile CAS Name: 4-(4-cyanophenyl)-5-(hydroxymethyl)-2-methyl-1-(3-pyridinylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 4-(4-cyanophenyl)-5-(hydroxymethyl)-2-methyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonitrile Traditional Name: 4-(4-cyanophenyl)-2-methyl-5-methylol-1-(3-pyridylmethyl)pyrrole-3-carbonitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CN=CC=C2)CO)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CN=CC=C2)CO)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C20H16N4O/c1-14-18(10-22)20(17-6-4-15(9-21)5-7-17)19(13-25)24(14)12-16-3-2-8-23-11-16/h2-8,11,25H,12-13H2,1H3