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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C22H30ClN5O2 MolecularWeight: 431.9589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H30ClN5O2/c1-17(22(30)25-19-7-6-18(15-24)20(23)14-19)27-12-10-26(11-13-27)16-21(29)28-8-4-2-3-5-9-28/h6-7,14,17H,2-5,8-13,16H2,1H3,(H,25,30)