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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylpyrrolidin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-hydroxy-1-pyrrolidinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-hydroxypyrrolidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-hydroxypyrrolidino)methyl]-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)CN5CCC(C5)O

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(C5)O

InChI

InChI=1S/C29H35N3O2/c1-20(21-10-4-2-5-11-21)30-29(34)27-24-14-8-9-15-26(24)31-28(22-12-6-3-7-13-22)25(27)19-32-17-16-23(33)18-32/h3,6-9,12-15,20-21,23,33H,2,4-5,10-11,16-19H2,1H3,(H,30,34)/t20-,23?/m0/s1