1-[(4-cyanophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrole-3-carboxylic acid Openeye Name: 1-[(4-cyanophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carboxylic acid CAS Name: 1-[(4-cyanophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-cyanophenyl)methyl]-2-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-3-carboxylic acid Traditional Name: 1-(4-cyanobenzyl)-2-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carboxylic acid Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CN(C(=C3C(=O)O)CC4=CN=CN4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CN(C(=C3C(=O)O)CC4=CN=CN4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20N4O2/c28-13-18-8-10-19(11-9-18)15-31-16-24(23-7-3-5-20-4-1-2-6-22(20)23)26(27(32)33)25(31)12-21-14-29-17-30-21/h1-11,14,16-17H,12,15H2,(H,29,30)(H,32,33)