1-[3-(4-nitrophenyl)-1-adamantyl]-3-pyridin-2-yl-urea

Systemtic Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-pyridin-2-yl-urea Openeye Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-(2-pyridyl)urea CAS Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-(2-pyridinyl)urea IUPAC Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-pyridin-2-ylurea Traditional Name: 1-[3-(4-nitrophenyl)-1-adamantyl]-3-(2-pyridyl)urea Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=CC=CC=N4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)NC4=CC=CC=N4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c27-20(24-19-3-1-2-8-23-19)25-22-12-15-9-16(13-22)11-21(10-15,14-22)17-4-6-18(7-5-17)26(28)29/h1-8,15-16H,9-14H2,(H2,23,24,25,27)