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

Systemtic Name: (3,5-dimethylphenyl)-[(2R,4S)-2-phenethyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[(2R,4S)-2-phenethyl-4-(4-quinolylmethylamino)-1-piperidyl]methanone CAS Name: (3,5-dimethylphenyl)-[(2R,4S)-2-phenethyl-4-(4-quinolinylmethylamino)-1-piperidinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[(2R,4S)-2-phenethyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[(2R,4S)-2-phenethyl-4-(4-quinolylmethylamino)piperidino]methanone Formula: C32H35N3O MolecularWeight: 477.6398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CCC3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[C@@H](C[C@H]2CCC3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

InChI

InChI=1S/C32H35N3O/c1-23-18-24(2)20-27(19-23)32(36)35-17-15-28(21-29(35)13-12-25-8-4-3-5-9-25)34-22-26-14-16-33-31-11-7-6-10-30(26)31/h3-11,14,16,18-20,28-29,34H,12-13,15,17,21-22H2,1-2H3/t28-,29+/m0/s1