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

Systemtic Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-20-9-10-21(2)30(20)24-13-11-22(12-14-24)26(32)29-16-6-15-28(17-18-29)19-25(31)27-23-7-4-3-5-8-23/h3-5,7-14H,6,15-19H2,1-2H3,(H,27,31)