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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-26-16-18(22(25-26)17-6-7-19-20(15-17)31-14-4-13-30-19)23(29)28-11-9-27(10-12-28)21-5-2-3-8-24-21/h2-3,5-8,15-16H,4,9-14H2,1H3