5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methyl-pyrrole-3-carboxamide Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H31N3O/c1-6-7-8-19-21(18-11-9-17(15-24)10-12-18)20(22(25)27)16(2)26(19)14-13-23(3,4)5/h9-12H,6-8,13-14H2,1-5H3,(H2,25,27)