1-[4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]piperazino]ethanone Formula: C24H24N6O4 MolecularWeight: 460.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C24H24N6O4/c1-15(31)28-8-10-29(11-9-28)23(32)18-13-26-30(22(18)16-2-3-16)24-25-7-6-19(27-24)17-4-5-20-21(12-17)34-14-33-20/h4-7,12-13,16H,2-3,8-11,14H2,1H3