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

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C32H38N4O MolecularWeight: 494.67032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C32H38N4O/c1-23-6-5-7-24(14-23)21-34-10-12-35(13-11-34)31(37)29-22-36(28-8-3-2-4-9-28)33-30(29)32-18-25-15-26(19-32)17-27(16-25)20-32/h2-9,14,22,25-27H,10-13,15-21H2,1H3