1-(6-bromanyl-1,3-benzoxazol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]piperidine-2-carboxamide

Systemtic Name: 1-(6-bromanyl-1,3-benzoxazol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]piperidine-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-bromo-1,3-benzoxazol-2-yl)piperidine-2-carboxamide CAS Name: 1-(6-bromo-1,3-benzoxazol-2-yl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-2-piperidinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-bromo-1,3-benzoxazol-2-yl)piperidine-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-bromo-1,3-benzoxazol-2-yl)pipecolinamide Formula: C24H27BrN4O2 MolecularWeight: 483.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCN(C2)CC3=CC=CC=C3)C4=NC5=C(O4)C=C(C=C5)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)C4=NC5=C(O4)C=C(C=C5)Br

InChI

InChI=1S/C24H27BrN4O2/c25-18-9-10-20-22(14-18)31-24(27-20)29-12-5-4-8-21(29)23(30)26-19-11-13-28(16-19)15-17-6-2-1-3-7-17/h1-3,6-7,9-10,14,19,21H,4-5,8,11-13,15-16H2,(H,26,30)/t19-,21?/m0/s1