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

Systemtic Name: 3-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C36H35N5O MolecularWeight: 553.696

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C36H35N5O/c42-35(37-22-29-23-40(30-12-6-2-7-13-30)38-33(29)28-10-4-1-5-11-28)32-24-41(31-14-8-3-9-15-31)39-34(32)36-19-25-16-26(20-36)18-27(17-25)21-36/h1-15,23-27H,16-22H2,(H,37,42)