N-[(1S)-1-cyclohexylethyl]-3-[[methyl(propanoyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(propanoyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(propanoyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(1-oxopropyl)amino]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(propanoyl)amino]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(propionyl)amino]methyl]-2-phenyl-cinchoninamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C)C4CCCCC4

Isomeric SMILES

CCC(=O)N(C)CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N[C@@H](C)C4CCCCC4

InChI

InChI=1S/C29H35N3O2/c1-4-26(33)32(3)19-24-27(29(34)30-20(2)21-13-7-5-8-14-21)23-17-11-12-18-25(23)31-28(24)22-15-9-6-10-16-22/h6,9-12,15-18,20-21H,4-5,7-8,13-14,19H2,1-3H3,(H,30,34)/t20-/m0/s1