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

Systemtic Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide Openeye Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-(m-tolylmethyl)pyrrole-3-carboxamide CAS Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]-3-pyrrolecarboxamide IUPAC Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-(3-methylbenzyl)pyrrole-3-carboxamide Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H27N3O/c1-4-5-9-22-24(21-12-10-19(15-26)11-13-21)23(25(27)29)18(3)28(22)16-20-8-6-7-17(2)14-20/h6-8,10-14H,4-5,9,16H2,1-3H3,(H2,27,29)