1-[[4-chloranyl-3-(hydroxymethyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carbonitrile

Systemtic Name: 1-[[4-chloranyl-3-(hydroxymethyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carbonitrile Openeye Name: 1-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carbonitrile CAS Name: 1-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarbonitrile IUPAC Name: 1-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carbonitrile Traditional Name: 1-(4-chloro-3-methylol-benzyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carbonitrile Formula: C22H18ClN3O MolecularWeight: 375.85082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O/c1-14-20(11-25)22(18-6-3-16(10-24)4-7-18)15(2)26(14)12-17-5-8-21(23)19(9-17)13-27/h3-9,27H,12-13H2,1-2H3