4-[1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-[1-[[6-chloro-5-(hydroxymethyl)-3-pyridyl]methyl]-2,5-dimethyl-pyrrol-3-yl]benzonitrile CAS Name: 4-[1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-2,5-dimethyl-3-pyrrolyl]benzonitrile IUPAC Name: 4-[1-[[6-chloro-5-(hydroxymethyl)pyridin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]benzonitrile Traditional Name: 4-[1-[(6-chloro-5-methylol-3-pyridyl)methyl]-2,5-dimethyl-pyrrol-3-yl]benzonitrile Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O/c1-13-7-19(17-5-3-15(9-22)4-6-17)14(2)24(13)11-16-8-18(12-25)20(21)23-10-16/h3-8,10,25H,11-12H2,1-2H3