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

Systemtic Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]-1-pyrrolidino-ethanone Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CC(=O)N5CCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C24H31N5O4/c1-26-16-19(23(25-26)18-5-6-20-21(15-18)33-14-4-13-32-20)24(31)29-11-9-27(10-12-29)17-22(30)28-7-2-3-8-28/h5-6,15-16H,2-4,7-14,17H2,1H3