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

Systemtic Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]-2-methyl-propan-1-one Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H28N4O4/c1-15(2)21(27)25-7-9-26(10-8-25)22(28)17-14-24(3)23-20(17)16-5-6-18-19(13-16)30-12-4-11-29-18/h5-6,13-15H,4,7-12H2,1-3H3