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

Systemtic Name: 3-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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