N-[(3-fluoranyl-5-nitro-phenyl)methyl]-2-propan-2-yl-5-(propan-2-yloxymethyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: N-[(3-fluoranyl-5-nitro-phenyl)methyl]-2-propan-2-yl-5-(propan-2-yloxymethyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide Openeye Name: N-[(3-fluoro-5-nitro-phenyl)methyl]-5-(isopropoxymethyl)-2-isopropyl-1-(3-pyridylmethyl)pyrrole-3-carboxamide CAS Name: N-[(3-fluoro-5-nitrophenyl)methyl]-2-propan-2-yl-5-(propan-2-yloxymethyl)-1-(3-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: N-[(3-fluoro-5-nitrophenyl)methyl]-2-propan-2-yl-5-(propan-2-yloxymethyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide Traditional Name: N-(3-fluoro-5-nitro-benzyl)-5-(isopropoxymethyl)-2-isopropyl-1-(3-pyridylmethyl)pyrrole-3-carboxamide Formula: C25H29FN4O4 MolecularWeight: 468.520563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(N1CC2=CN=CC=C2)COC(C)C)C(=O)NCC3=CC(=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(N1CC2=CN=CC=C2)COC(C)C)C(=O)NCC3=CC(=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C25H29FN4O4/c1-16(2)24-23(25(31)28-13-19-8-20(26)10-21(9-19)30(32)33)11-22(15-34-17(3)4)29(24)14-18-6-5-7-27-12-18/h5-12,16-17H,13-15H2,1-4H3,(H,28,31)