1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(3-nitrophenyl)methylideneamino]urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(3-nitrophenyl)methylideneamino]urea Openeye Name: 1-[(E)-(3-nitrophenyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(3-nitrophenyl)methylideneamino]urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(3-nitrophenyl)methylideneamino]urea Traditional Name: 1-[(E)-(3-nitrobenzylidene)amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N/N=C/C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O3/c1-17-5-7-21(8-6-17)24-11-19-9-20(12-24)14-25(13-19,16-24)27-23(30)28-26-15-18-3-2-4-22(10-18)29(31)32/h2-8,10,15,19-20H,9,11-14,16H2,1H3,(H2,27,28,30)/b26-15+