4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-pentyl-pyrrole-3-carboxamide Openeye Name: 4-(4-cyanophenyl)-2-methyl-1-(m-tolylmethyl)-5-pentyl-pyrrole-3-carboxamide CAS Name: 4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-cyanophenyl)-2-methyl-1-(3-methylbenzyl)pyrrole-3-carboxamide Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H29N3O/c1-4-5-6-10-23-25(22-13-11-20(16-27)12-14-22)24(26(28)30)19(3)29(23)17-21-9-7-8-18(2)15-21/h7-9,11-15H,4-6,10,17H2,1-3H3,(H2,28,30)