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

Systemtic Name: 4-(4-tert-butylphenyl)-2-methyl-5-pentyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-2-methyl-5-pentyl-1-(2-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 4-(4-tert-butylphenyl)-2-methyl-5-pentyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-2-methyl-5-pentyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-tert-butylphenyl)-2-methyl-1-(2-pyridylmethyl)pyrrole-3-carboxamide Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O/c1-6-7-8-12-23-25(20-13-15-21(16-14-20)27(3,4)5)24(26(28)31)19(2)30(23)18-22-11-9-10-17-29-22/h9-11,13-17H,6-8,12,18H2,1-5H3,(H2,28,31)