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

Systemtic Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-chlorobenzyl)-4-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide Formula: C24H24ClN3O MolecularWeight: 405.91986

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O/c1-3-4-8-21-23(19-11-9-17(14-26)10-12-19)22(24(27)29)16(2)28(21)15-18-6-5-7-20(25)13-18/h5-7,9-13H,3-4,8,15H2,1-2H3,(H2,27,29)