[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone Openeye Name: (4-benzyloxy-1-piperidyl)-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-(4-phenylmethoxy-1-piperidinyl)methanone IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone Traditional Name: (4-benzoxypiperidino)-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC(CC4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC(CC4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4/c1-28-17-22(25(27-28)20-8-9-23-24(16-20)32-15-5-14-31-23)26(30)29-12-10-21(11-13-29)33-18-19-6-3-2-4-7-19/h2-4,6-9,16-17,21H,5,10-15,18H2,1H3