3-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(3,4-diethoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(3,4-diethoxybenzyl)-1-phenyl-pyrazole-4-carboxamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)OCC

InChI

InChI=1S/C31H37N3O3/c1-3-36-27-11-10-21(15-28(27)37-4-2)19-32-30(35)26-20-34(25-8-6-5-7-9-25)33-29(26)31-16-22-12-23(17-31)14-24(13-22)18-31/h5-11,15,20,22-24H,3-4,12-14,16-19H2,1-2H3,(H,32,35)