(2S)-2-[(3-chloranyl-4-cyano-phenyl)-(cyclopropylmethyl)amino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(3-chloranyl-4-cyano-phenyl)-(cyclopropylmethyl)amino]-N-ethyl-propanamide Openeye Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]-N-ethyl-propanamide CAS Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]-N-ethylpropanamide Traditional Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]-N-ethyl-propionamide Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)N(CC1CC1)C2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)N(CC1CC1)C2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN3O/c1-3-19-16(21)11(2)20(10-12-4-5-12)14-7-6-13(9-18)15(17)8-14/h6-8,11-12H,3-5,10H2,1-2H3,(H,19,21)/t11-/m0/s1