(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-[(4-piperidin-1-ylphenyl)amino]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-[(4-piperidin-1-ylphenyl)amino]propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[4-(1-piperidyl)anilino]propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-[4-(1-piperidinyl)anilino]propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(4-piperidin-1-ylanilino)propanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(4-piperidinoanilino)propionamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H23ClN4O/c1-15(21(27)25-18-6-5-16(14-23)20(22)13-18)24-17-7-9-19(10-8-17)26-11-3-2-4-12-26/h5-10,13,15,24H,2-4,11-12H2,1H3,(H,25,27)/t15-/m0/s1