1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(2-phenylquinolin-4-yl)carbonylpyrrolidin-3-yl]piperidine-2-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(2-phenylquinolin-4-yl)carbonylpyrrolidin-3-yl]piperidine-2-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(2-phenylquinoline-4-carbonyl)pyrrolidin-3-yl]piperidine-2-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-[oxo-(2-phenyl-4-quinolinyl)methyl]-3-pyrrolidinyl]-2-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(2-phenylquinoline-4-carbonyl)pyrrolidin-3-yl]piperidine-2-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(2-phenylquinoline-4-carbonyl)pyrrolidin-3-yl]pipecolinamide Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C6=NC7=CC=CC=C7O6

Isomeric SMILES

C1CCN(C(C1)C(=O)N[C@H]2CCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C6=NC7=CC=CC=C7O6

InChI

InChI=1S/C33H31N5O3/c39-31(29-15-8-9-18-38(29)33-36-27-14-6-7-16-30(27)41-33)34-23-17-19-37(21-23)32(40)25-20-28(22-10-2-1-3-11-22)35-26-13-5-4-12-24(25)26/h1-7,10-14,16,20,23,29H,8-9,15,17-19,21H2,(H,34,39)/t23-,29?/m0/s1