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

Systemtic Name: N-[4-[[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C27H32N4O2/c1-20-5-6-21(2)31(20)26-13-9-24(10-14-26)27(33)30-16-4-15-29(17-18-30)19-23-7-11-25(12-8-23)28-22(3)32/h5-14H,4,15-19H2,1-3H3,(H,28,32)