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

Systemtic Name: (2S)-2-[(4-cyanonaphthalen-1-yl)amino]-3-cyclohexyl-N-(3-ethynylphenyl)propanamide Openeye Name: (2S)-2-[(4-cyano-1-naphthyl)amino]-3-cyclohexyl-N-(3-ethynylphenyl)propanamide CAS Name: (2S)-2-[(4-cyano-1-naphthalenyl)amino]-3-cyclohexyl-N-(3-ethynylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyanonaphthalen-1-yl)amino]-3-cyclohexyl-N-(3-ethynylphenyl)propanamide Traditional Name: (2S)-2-[(4-cyano-1-naphthyl)amino]-3-cyclohexyl-N-(3-ethynylphenyl)propionamide Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O/c1-2-20-11-8-12-23(17-20)30-28(32)27(18-21-9-4-3-5-10-21)31-26-16-15-22(19-29)24-13-6-7-14-25(24)26/h1,6-8,11-17,21,27,31H,3-5,9-10,18H2,(H,30,32)/t27-/m0/s1