1-(1-adamantyl)-3-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]urea Openeye Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]urea CAS Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]urea Traditional Name: 1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]urea Formula: C22H26ClN5O MolecularWeight: 411.92774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H26ClN5O/c1-14-19(20(23)28(27-14)18-5-3-2-4-6-18)13-24-26-21(29)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13,15-17H,7-12H2,1H3,(H2,25,26,29)/b24-13+