2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylmethyl)amino]-N-(2-dimethylaminoethyl)-2-methyl-propanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylmethyl)amino]-N-(2-dimethylaminoethyl)-2-methyl-propanamide Openeye Name: 2-(N-benzyl-3-chloro-4-fluoro-anilino)-N-(2-dimethylaminoethyl)-2-methyl-propanamide CAS Name: 2-(3-chloro-4-fluoro-N-(phenylmethyl)anilino)-N-(2-dimethylaminoethyl)-2-methylpropanamide IUPAC Name: 2-(N-benzyl-3-chloro-4-fluoroanilino)-N-(2-dimethylaminoethyl)-2-methylpropanamide Traditional Name: 2-(N-benzyl-3-chloro-4-fluoro-anilino)-N-(2-dimethylaminoethyl)-2-methyl-propionamide Formula: C21H27ClFN3O MolecularWeight: 391.909983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCN(C)C)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C(=O)NCCN(C)C)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H27ClFN3O/c1-21(2,20(27)24-12-13-25(3)4)26(15-16-8-6-5-7-9-16)17-10-11-19(23)18(22)14-17/h5-11,14H,12-13,15H2,1-4H3,(H,24,27)