2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-bromophenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-bromophenyl)propionamide Formula: C21H31BrN4O2 MolecularWeight: 451.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31BrN4O2/c1-17(21(28)23-19-8-6-7-18(22)15-19)25-13-11-24(12-14-25)16-20(27)26-9-4-2-3-5-10-26/h6-8,15,17H,2-5,9-14,16H2,1H3,(H,23,28)