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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

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