2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C22H33BrN4O2 MolecularWeight: 465.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C22H33BrN4O2/c1-17-7-8-20(19(23)15-17)24-22(29)18(2)26-13-11-25(12-14-26)16-21(28)27-9-5-3-4-6-10-27/h7-8,15,18H,3-6,9-14,16H2,1-2H3,(H,24,29)