1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propyl-pyrrole-3-carbonitrile

Systemtic Name: 1-[[6-chloranyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propyl-pyrrole-3-carbonitrile Openeye Name: 1-[[6-chloro-5-(hydroxymethyl)-3-pyridyl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propyl-pyrrole-3-carbonitrile CAS Name: 1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propyl-3-pyrrolecarbonitrile IUPAC Name: 1-[[6-chloro-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propylpyrrole-3-carbonitrile Traditional Name: 1-[(6-chloro-5-methylol-3-pyridyl)methyl]-4-(4-cyanophenyl)-5-methyl-2-propyl-pyrrole-3-carbonitrile Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)CO)C)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)CO)C)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C23H21ClN4O/c1-3-4-21-20(11-26)22(18-7-5-16(10-25)6-8-18)15(2)28(21)13-17-9-19(14-29)23(24)27-12-17/h5-9,12,29H,3-4,13-14H2,1-2H3