1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-2-methyl-2-phenyl-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-2-phenyl-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-2-phenyl-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-2-phenyl-1-propanone IUPAC Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one Traditional Name: 1-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C28H32N4O4/c1-28(2,21-8-5-4-6-9-21)27(34)32-14-12-31(13-15-32)26(33)22-19-30(3)29-25(22)20-10-11-23-24(18-20)36-17-7-16-35-23/h4-6,8-11,18-19H,7,12-17H2,1-3H3