N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(3,5-dimethylisoxazol-4-yl)propanamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(3,5-dimethylisoxazol-4-yl)propionamide Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3

InChI

InChI=1S/C20H26ClN3O2/c1-14-17(15(2)26-23-14)8-10-20(25)22-18-13-16(21)7-9-19(18)24-11-5-3-4-6-12-24/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,22,25)