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

Systemtic Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-(m-tolylmethyl)pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]-3-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(3-methylbenzyl)pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C31H33N5O MolecularWeight: 491.62662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N5O/c1-21-6-5-7-22(12-21)19-35-11-10-28(33-35)32-30(37)27-20-36(26-8-3-2-4-9-26)34-29(27)31-16-23-13-24(17-31)15-25(14-23)18-31/h2-12,20,23-25H,13-19H2,1H3,(H,32,33,37)