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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(dipropylamino)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(dipropylamino)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(dipropylamino)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(dipropylamino)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(dipropylamino)methyl]-2-phenyl-cinchoninamide Formula: C31H41N3O MolecularWeight: 471.67674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O/c1-4-20-34(21-5-2)22-27-29(31(35)32-23(3)24-14-8-6-9-15-24)26-18-12-13-19-28(26)33-30(27)25-16-10-7-11-17-25/h7,10-13,16-19,23-24H,4-6,8-9,14-15,20-22H2,1-3H3,(H,32,35)/t23-/m0/s1