[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]methanone Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C29H36N6O/c1-32-18-24(17-30-32)19-33-7-9-34(10-8-33)28(36)26-20-35(25-5-3-2-4-6-25)31-27(26)29-14-21-11-22(15-29)13-23(12-21)16-29/h2-6,17-18,20-23H,7-16,19H2,1H3