[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazino]methanone Formula: C30H38N6O3S MolecularWeight: 562.72612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C30H38N6O3S/c1-3-34-20-27(21(2)31-34)40(38,39)35-11-9-33(10-12-35)29(37)26-19-36(25-7-5-4-6-8-25)32-28(26)30-16-22-13-23(17-30)15-24(14-22)18-30/h4-8,19-20,22-24H,3,9-18H2,1-2H3