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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(2-methylpropanoyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(2-methylpropanoyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl-(2-methyl-1-oxopropyl)amino]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(2-methylpropanoyl)amino]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[isobutyryl(methyl)amino]methyl]-2-phenyl-cinchoninamide Formula: C30H37N3O2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O2/c1-20(2)30(35)33(4)19-25-27(29(34)31-21(3)22-13-7-5-8-14-22)24-17-11-12-18-26(24)32-28(25)23-15-9-6-10-16-23/h6,9-12,15-18,20-22H,5,7-8,13-14,19H2,1-4H3,(H,31,34)/t21-/m0/s1