N-(1-adamantyl)-4-phenyl-5-(phenylmethyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-phenyl-5-(phenylmethyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: N-(1-adamantyl)-5-benzyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide CAS Name: N-(1-adamantyl)-4-phenyl-5-(phenylmethyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: N-(1-adamantyl)-5-benzyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: N-(1-adamantyl)-3-benzyl-4-phenyl-2-pyrazoline-1-carboxamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)N4CC(C(=N4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)N4CC(C(=N4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H31N3O/c31-26(28-27-15-20-11-21(16-27)13-22(12-20)17-27)30-18-24(23-9-5-2-6-10-23)25(29-30)14-19-7-3-1-4-8-19/h1-10,20-22,24H,11-18H2,(H,28,31)