5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(2-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(2-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-(2-pyridylmethyl)pyrrole-3-carboxamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2/c1-3-4-16-25-27(21-11-10-15-24(18-21)33-23-13-6-5-7-14-23)26(28(29)32)20(2)31(25)19-22-12-8-9-17-30-22/h5-15,17-18H,3-4,16,19H2,1-2H3,(H2,29,32)