(2S)-2-[(4-cyanonaphthalen-1-yl)amino]-3-cyclohexyl-N-(4-fluoranyl-3-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[(4-cyanonaphthalen-1-yl)amino]-3-cyclohexyl-N-(4-fluoranyl-3-methyl-phenyl)propanamide Openeye Name: (2S)-2-[(4-cyano-1-naphthyl)amino]-3-cyclohexyl-N-(4-fluoro-3-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4-cyano-1-naphthalenyl)amino]-3-cyclohexyl-N-(4-fluoro-3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyanonaphthalen-1-yl)amino]-3-cyclohexyl-N-(4-fluoro-3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-cyano-1-naphthyl)amino]-3-cyclohexyl-N-(4-fluoro-3-methyl-phenyl)propionamide Formula: C27H28FN3O MolecularWeight: 429.529123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CC2CCCCC2)NC3=CC=C(C4=CC=CC=C43)C#N)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](CC2CCCCC2)NC3=CC=C(C4=CC=CC=C43)C#N)F

InChI

InChI=1S/C27H28FN3O/c1-18-15-21(12-13-24(18)28)30-27(32)26(16-19-7-3-2-4-8-19)31-25-14-11-20(17-29)22-9-5-6-10-23(22)25/h5-6,9-15,19,26,31H,2-4,7-8,16H2,1H3,(H,30,32)/t26-/m0/s1