5-butyl-4-(4-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-4-(4-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-4-(4-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-4-(4-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-4-(4-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-cyanophenyl)-1-homoveratryl-2-methyl-pyrrole-3-carboxamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H31N3O3/c1-5-6-7-22-26(21-11-8-20(17-28)9-12-21)25(27(29)31)18(2)30(22)15-14-19-10-13-23(32-3)24(16-19)33-4/h8-13,16H,5-7,14-15H2,1-4H3,(H2,29,31)