(3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(4-quinolylmethylamino)-1-piperidyl]methanone CAS Name: (3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(4-quinolinylmethylamino)-1-piperidinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[(2S,4S)-2-phenyl-4-(4-quinolylmethylamino)piperidino]methanone Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2C3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[C@@H](C[C@H]2C3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

InChI

InChI=1S/C30H31N3O/c1-21-16-22(2)18-25(17-21)30(34)33-15-13-26(19-29(33)23-8-4-3-5-9-23)32-20-24-12-14-31-28-11-7-6-10-27(24)28/h3-12,14,16-18,26,29,32H,13,15,19-20H2,1-2H3/t26-,29-/m0/s1