2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H29FN4O2/c1-19-4-5-20(2)31(19)24-12-6-21(7-13-24)26(33)30-15-3-14-29(16-17-30)18-25(32)28-23-10-8-22(27)9-11-23/h4-13H,3,14-18H2,1-2H3,(H,28,32)