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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-(morpholin-4-ylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-(morpholinomethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-(4-morpholinylmethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-(morpholin-4-ylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-(morpholinomethyl)-2-phenyl-cinchoninamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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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)CN5CCOCC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCOCC5

InChI

InChI=1S/C29H35N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h3,6-9,12-15,21-22H,2,4-5,10-11,16-20H2,1H3,(H,30,33)/t21-/m0/s1