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

Systemtic Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-(m-tolylmethyl)pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(3-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=C1)CN2C=C(C=N2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=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(10-21)18-35-19-26(17-32-35)33-30(37)28-20-36(27-8-3-2-4-9-27)34-29(28)31-14-23-11-24(15-31)13-25(12-23)16-31/h2-10,17,19-20,23-25H,11-16,18H2,1H3,(H,33,37)