3-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H32N6O MolecularWeight: 492.61468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C30H32N6O/c1-20-7-9-21(10-8-20)17-35-19-31-29(34-35)32-28(37)26-18-36(25-5-3-2-4-6-25)33-27(26)30-14-22-11-23(15-30)13-24(12-22)16-30/h2-10,18-19,22-24H,11-17H2,1H3,(H,32,34,37)