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

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C31H40N6O MolecularWeight: 512.6889

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C31H40N6O/c1-3-36-20-26(22(2)32-36)19-34-9-11-35(12-10-34)30(38)28-21-37(27-7-5-4-6-8-27)33-29(28)31-16-23-13-24(17-31)15-25(14-23)18-31/h4-8,20-21,23-25H,3,9-19H2,1-2H3