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

Systemtic Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperidin-4-yl]-phenyl-methanone Openeye Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-4-piperidyl]-phenyl-methanone CAS Name: [1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]-phenylmethanone IUPAC Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperidin-4-yl]-phenylmethanone Traditional Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-4-piperidyl]-phenyl-methanone Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4/c1-28-17-21(24(27-28)20-8-9-22-23(16-20)33-15-5-14-32-22)26(31)29-12-10-19(11-13-29)25(30)18-6-3-2-4-7-18/h2-4,6-9,16-17,19H,5,10-15H2,1H3