3-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(3-morpholinopropyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-morpholinyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(3-morpholinopropyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H36N4O2/c32-26(28-7-4-8-30-9-11-33-12-10-30)24-19-31(23-5-2-1-3-6-23)29-25(24)27-16-20-13-21(17-27)15-22(14-20)18-27/h1-3,5-6,19-22H,4,7-18H2,(H,28,32)