3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2/c1-32-23-9-5-6-21(13-23)28-26(31)24-17-30(22-7-3-2-4-8-22)29-25(24)27-14-18-10-19(15-27)12-20(11-18)16-27/h2-9,13,17-20H,10-12,14-16H2,1H3,(H,28,31)