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

Systemtic Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(3-phenoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-[3-(dimethylamino)propyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O2/c1-5-6-16-24-26(25(27(28)31)20(2)30(24)18-11-17-29(3)4)21-12-10-15-23(19-21)32-22-13-8-7-9-14-22/h7-10,12-15,19H,5-6,11,16-18H2,1-4H3,(H2,28,31)