4-(3-bicyclo[3.3.3]undecanyl)-N-(phenylmethyl)quinoline-2-carboxamide

Systemtic Name: 4-(3-bicyclo[3.3.3]undecanyl)-N-(phenylmethyl)quinoline-2-carboxamide Openeye Name: N-benzyl-4-(3-bicyclo[3.3.3]undecanyl)quinoline-2-carboxamide CAS Name: 4-(3-bicyclo[3.3.3]undecanyl)-N-(phenylmethyl)-2-quinolinecarboxamide IUPAC Name: N-benzyl-4-(3-bicyclo[3.3.3]undecanyl)quinoline-2-carboxamide Traditional Name: N-benzyl-4-(3-bicyclo[3.3.3]undecanyl)quinaldamide Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H32N2O/c31-28(29-19-22-8-2-1-3-9-22)27-18-25(24-14-4-5-15-26(24)30-27)23-16-20-10-6-11-21(17-23)13-7-12-20/h1-5,8-9,14-15,18,20-21,23H,6-7,10-13,16-17,19H2,(H,29,31)