2-phenyl-1-[(2R,4S)-2-(phenylmethyl)-4-(quinolin-4-ylmethylamino)piperidin-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[(2R,4S)-2-(phenylmethyl)-4-(quinolin-4-ylmethylamino)piperidin-1-yl]ethanone Openeye Name: 1-[(2R,4S)-2-benzyl-4-(4-quinolylmethylamino)-1-piperidyl]-2-phenyl-ethanone CAS Name: 2-phenyl-1-[(2R,4S)-2-(phenylmethyl)-4-(4-quinolinylmethylamino)-1-piperidinyl]ethanone IUPAC Name: 1-[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[(2R,4S)-2-benzyl-4-(4-quinolylmethylamino)piperidino]-2-phenyl-ethanone Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1NCC2=CC=NC3=CC=CC=C23)CC4=CC=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN([C@@H](C[C@H]1NCC2=CC=NC3=CC=CC=C23)CC4=CC=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O/c34-30(20-24-11-5-2-6-12-24)33-18-16-26(21-27(33)19-23-9-3-1-4-10-23)32-22-25-15-17-31-29-14-8-7-13-28(25)29/h1-15,17,26-27,32H,16,18-22H2/t26-,27+/m0/s1