(2S)-N-[2-(1-adamantyl)propan-2-yl]-2-[(4-cyanonaphthalen-1-yl)amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[2-(1-adamantyl)propan-2-yl]-2-[(4-cyanonaphthalen-1-yl)amino]-4-methyl-pentanamide Openeye Name: (2S)-N-[1-(1-adamantyl)-1-methyl-ethyl]-2-[(4-cyano-1-naphthyl)amino]-4-methyl-pentanamide CAS Name: (2S)-N-[2-(1-adamantyl)propan-2-yl]-2-[(4-cyano-1-naphthalenyl)amino]-4-methylpentanamide IUPAC Name: (2S)-N-[2-(1-adamantyl)propan-2-yl]-2-[(4-cyanonaphthalen-1-yl)amino]-4-methylpentanamide Traditional Name: (2S)-N-[1-(1-adamantyl)-1-methyl-ethyl]-2-[(4-cyano-1-naphthyl)amino]-4-methyl-valeramide Formula: C30H39N3O MolecularWeight: 457.65016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)(C)C12CC3CC(C1)CC(C3)C2)NC4=CC=C(C5=CC=CC=C54)C#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(C)(C)C12CC3CC(C1)CC(C3)C2)NC4=CC=C(C5=CC=CC=C54)C#N

InChI

InChI=1S/C30H39N3O/c1-19(2)11-27(32-26-10-9-23(18-31)24-7-5-6-8-25(24)26)28(34)33-29(3,4)30-15-20-12-21(16-30)14-22(13-20)17-30/h5-10,19-22,27,32H,11-17H2,1-4H3,(H,33,34)/t20?,21?,22?,27-,30?/m0/s1