3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-(butylaminomethyl)-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C29H37N3O MolecularWeight: 443.62358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C)C4CCCCC4

Isomeric SMILES

CCCCNCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N[C@@H](C)C4CCCCC4

InChI

InChI=1S/C29H37N3O/c1-3-4-19-30-20-25-27(29(33)31-21(2)22-13-7-5-8-14-22)24-17-11-12-18-26(24)32-28(25)23-15-9-6-10-16-23/h6,9-12,15-18,21-22,30H,3-5,7-8,13-14,19-20H2,1-2H3,(H,31,33)/t21-/m0/s1