3-(1-adamantyl)-1-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[4-(1-piperidylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[4-(1-piperidinylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[4-(piperidinomethyl)phenyl]pyrazole-4-carboxamide Formula: C32H38N4O MolecularWeight: 494.67032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C32H38N4O/c37-31(33-27-11-9-23(10-12-27)21-35-13-5-2-6-14-35)29-22-36(28-7-3-1-4-8-28)34-30(29)32-18-24-15-25(19-32)17-26(16-24)20-32/h1,3-4,7-12,22,24-26H,2,5-6,13-21H2,(H,33,37)