1-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]isonipecotamide Formula: C31H31N3O2 MolecularWeight: 477.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(CC4)C(=O)NCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(CC4)C(=O)NCC5=CC=CC=C5)C

InChI

InChI=1S/C31H31N3O2/c1-21-12-13-25(22(2)18-21)29-19-27(26-10-6-7-11-28(26)33-29)31(36)34-16-14-24(15-17-34)30(35)32-20-23-8-4-3-5-9-23/h3-13,18-19,24H,14-17,20H2,1-2H3,(H,32,35)