N-[[4,5-dimethyl-1-(phenylmethyl)-2-pyrrol-1-yl-pyrrol-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4,5-dimethyl-1-(phenylmethyl)-2-pyrrol-1-yl-pyrrol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-yl-pyrrol-3-yl)methyl]-4-fluoro-benzamide CAS Name: N-[[4,5-dimethyl-1-(phenylmethyl)-2-(1-pyrrolyl)-3-pyrrolyl]methyl]-4-fluorobenzamide IUPAC Name: N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]-4-fluorobenzamide Traditional Name: N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-yl-pyrrol-3-yl)methyl]-4-fluoro-benzamide Formula: C25H24FN3O MolecularWeight: 401.475963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1CNC(=O)C2=CC=C(C=C2)F)N3C=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1CNC(=O)C2=CC=C(C=C2)F)N3C=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H24FN3O/c1-18-19(2)29(17-20-8-4-3-5-9-20)25(28-14-6-7-15-28)23(18)16-27-24(30)21-10-12-22(26)13-11-21/h3-15H,16-17H2,1-2H3,(H,27,30)