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

Systemtic Name: 2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: 2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: 2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-amyl-2-methyl-4-(3-phenoxyphenyl)-1-(2-pyridylmethyl)pyrrole-3-carboxamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c1-3-4-6-17-26-28(22-12-11-16-25(19-22)34-24-14-7-5-8-15-24)27(29(30)33)21(2)32(26)20-23-13-9-10-18-31-23/h5,7-16,18-19H,3-4,6,17,20H2,1-2H3,(H2,30,33)