2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C21H30ClN5O4 MolecularWeight: 451.947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H30ClN5O4/c1-16(21(29)23-19-14-17(27(30)31)6-7-18(19)22)25-12-10-24(11-13-25)15-20(28)26-8-4-2-3-5-9-26/h6-7,14,16H,2-5,8-13,15H2,1H3,(H,23,29)