1-(1,3-benzoxazol-2-yl)-3-(2-chloranylquinolin-4-yl)carbonyl-2-pyrrolidin-3-yl-piperidine-2-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-3-(2-chloranylquinolin-4-yl)carbonyl-2-pyrrolidin-3-yl-piperidine-2-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-3-(2-chloroquinoline-4-carbonyl)-2-pyrrolidin-3-yl-piperidine-2-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-3-[(2-chloro-4-quinolinyl)-oxomethyl]-2-(3-pyrrolidinyl)-2-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-3-(2-chloroquinoline-4-carbonyl)-2-pyrrolidin-3-ylpiperidine-2-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-3-(2-chloroquinoline-4-carbonyl)-2-pyrrolidin-3-yl-pipecolinamide Formula: C27H26ClN5O3 MolecularWeight: 503.98004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C2=NC3=CC=CC=C3O2)(C4CCNC4)C(=O)N)C(=O)C5=CC(=NC6=CC=CC=C65)Cl

Isomeric SMILES

C1CC(C(N(C1)C2=NC3=CC=CC=C3O2)(C4CCNC4)C(=O)N)C(=O)C5=CC(=NC6=CC=CC=C65)Cl

InChI

InChI=1S/C27H26ClN5O3/c28-23-14-18(17-6-1-2-8-20(17)31-23)24(34)19-7-5-13-33(26-32-21-9-3-4-10-22(21)36-26)27(19,25(29)35)16-11-12-30-15-16/h1-4,6,8-10,14,16,19,30H,5,7,11-13,15H2,(H2,29,35)