[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

Systemtic Name: [(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone Openeye Name: (4-benzyloxy-1-piperidyl)-[(3S)-1-(4,7-dimethylquinazolin-2-yl)-3-piperidyl]methanone CAS Name: [(3S)-1-(4,7-dimethyl-2-quinazolinyl)-3-piperidinyl]-(4-phenylmethoxy-1-piperidinyl)methanone IUPAC Name: [(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone Traditional Name: (4-benzoxypiperidino)-[(3S)-1-(4,7-dimethylquinazolin-2-yl)-3-piperidyl]methanone Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)N4CCC(CC4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](C3)C(=O)N4CCC(CC4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C28H34N4O2/c1-20-10-11-25-21(2)29-28(30-26(25)17-20)32-14-6-9-23(18-32)27(33)31-15-12-24(13-16-31)34-19-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,23-24H,6,9,12-16,18-19H2,1-2H3/t23-/m0/s1