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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[cyclopropylcarbonyl(methyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[cyclopropanecarbonyl(methyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[[cyclopropyl(oxo)methyl]-methylamino]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[cyclopropanecarbonyl(methyl)amino]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[cyclopropanecarbonyl(methyl)amino]methyl]-2-phenyl-cinchoninamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C(=O)C5CC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C(=O)C5CC5

InChI

InChI=1S/C30H35N3O2/c1-20(21-11-5-3-6-12-21)31-29(34)27-24-15-9-10-16-26(24)32-28(22-13-7-4-8-14-22)25(27)19-33(2)30(35)23-17-18-23/h4,7-10,13-16,20-21,23H,3,5-6,11-12,17-19H2,1-2H3,(H,31,34)/t20-/m0/s1