N-[(2R,4S)-1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2R,4S)-1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: N-[(2R,4S)-2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl]quinoline-4-carboxamide CAS Name: N-[(2R,4S)-1-[(3,5-dimethylphenyl)-oxomethyl]-2-(phenylmethyl)-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: N-[(2R,4S)-2-benzyl-1-(3,5-dimethylbenzoyl)piperidin-4-yl]quinoline-4-carboxamide Traditional Name: N-[(2R,4S)-2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl]cinchoninamide Formula: C31H31N3O2 MolecularWeight: 477.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[C@@H](C[C@H]2CC3=CC=CC=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C

InChI

InChI=1S/C31H31N3O2/c1-21-16-22(2)18-24(17-21)31(36)34-15-13-25(20-26(34)19-23-8-4-3-5-9-23)33-30(35)28-12-14-32-29-11-7-6-10-27(28)29/h3-12,14,16-18,25-26H,13,15,19-20H2,1-2H3,(H,33,35)/t25-,26+/m0/s1