3-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[1-(4-sec-butylphenyl)propyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[1-(4-sec-butylphenyl)propyl]pyrazole-4-carboxamide Formula: C33H41N3O MolecularWeight: 495.69814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H41N3O/c1-4-22(3)26-11-13-27(14-12-26)30(5-2)34-32(37)29-21-36(28-9-7-6-8-10-28)35-31(29)33-18-23-15-24(19-33)17-25(16-23)20-33/h6-14,21-25,30H,4-5,15-20H2,1-3H3,(H,34,37)