5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(4-phenylphenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-chlorobenzyl)-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Formula: C29H29ClN2O MolecularWeight: 457.00636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29ClN2O/c1-3-4-13-26-28(24-16-14-23(15-17-24)22-10-6-5-7-11-22)27(29(31)33)20(2)32(26)19-21-9-8-12-25(30)18-21/h5-12,14-18H,3-4,13,19H2,1-2H3,(H2,31,33)