1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-quinolin-2-ylcarbonylpyrrolidin-3-yl]piperidine-2-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-quinolin-2-ylcarbonylpyrrolidin-3-yl]piperidine-2-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]piperidine-2-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-[oxo(2-quinolinyl)methyl]-3-pyrrolidinyl]-2-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]piperidine-2-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[(3S)-1-quinaldoylpyrrolidin-3-yl]pipecolinamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CCN(C(C1)C(=O)N[C@H]2CCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H27N5O3/c33-25(23-10-5-6-15-32(23)27-30-21-9-3-4-11-24(21)35-27)28-19-14-16-31(17-19)26(34)22-13-12-18-7-1-2-8-20(18)29-22/h1-4,7-9,11-13,19,23H,5-6,10,14-17H2,(H,28,33)/t19-,23?/m0/s1