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

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

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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)Cl)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CCN(C(C1)C(=O)N[C@H]2CCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)Cl)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H26ClN5O3/c28-24-15-19(18-7-1-2-8-20(18)30-24)26(35)32-14-12-17(16-32)29-25(34)22-10-5-6-13-33(22)27-31-21-9-3-4-11-23(21)36-27/h1-4,7-9,11,15,17,22H,5-6,10,12-14,16H2,(H,29,34)/t17-,22?/m0/s1