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

Systemtic Name: [4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]-(2-pyridyl)methanone Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C24H25N5O4/c1-27-16-18(22(26-27)17-6-7-20-21(15-17)33-14-4-13-32-20)23(30)28-9-11-29(12-10-28)24(31)19-5-2-3-8-25-19/h2-3,5-8,15-16H,4,9-14H2,1H3