[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(3-pyridylmethyl)piperazino]methanone Formula: C30H35N5O MolecularWeight: 481.6318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C30H35N5O/c36-29(34-11-9-33(10-12-34)20-22-5-4-8-31-19-22)27-21-35(26-6-2-1-3-7-26)32-28(27)30-16-23-13-24(17-30)15-25(14-23)18-30/h1-8,19,21,23-25H,9-18,20H2