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

Systemtic Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(4-phenylphenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O/c1-5-6-13-24-26(23-16-14-22(15-17-23)21-11-8-7-9-12-21)25(27(28)31)20(2)30(24)19-10-18-29(3)4/h7-9,11-12,14-17H,5-6,10,13,18-19H2,1-4H3,(H2,28,31)