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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[2-cyclopropylethanoyl(methyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[(2-cyclopropylacetyl)-methyl-amino]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[(2-cyclopropyl-1-oxoethyl)-methylamino]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[(2-cyclopropylacetyl)-methylamino]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[(2-cyclopropylacetyl)-methyl-amino]methyl]-2-phenyl-cinchoninamide Formula: C31H37N3O2 MolecularWeight: 483.64438

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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)CC5CC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C(=O)CC5CC5

InChI

InChI=1S/C31H37N3O2/c1-21(23-11-5-3-6-12-23)32-31(36)29-25-15-9-10-16-27(25)33-30(24-13-7-4-8-14-24)26(29)20-34(2)28(35)19-22-17-18-22/h4,7-10,13-16,21-23H,3,5-6,11-12,17-20H2,1-2H3,(H,32,36)/t21-/m0/s1