2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3-acetamido-3-(p-tolyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[3-acetamido-3-(4-methylphenyl)-1-oxopropyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-acetamido-3-(p-tolyl)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCCN(CC2)CC(=O)N(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCCN(CC2)CC(=O)N(C)C)NC(=O)C

InChI

InChI=1S/C21H32N4O3/c1-16-6-8-18(9-7-16)19(22-17(2)26)14-20(27)25-11-5-10-24(12-13-25)15-21(28)23(3)4/h6-9,19H,5,10-15H2,1-4H3,(H,22,26)