1-(1-adamantyl)-3-[(3-phenylpyrazol-4-ylidene)methylamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(3-phenylpyrazol-4-ylidene)methylamino]urea Openeye Name: 1-(1-adamantyl)-3-[(3-phenylpyrazol-4-ylidene)methylamino]urea CAS Name: 1-(1-adamantyl)-3-[(3-phenyl-4-pyrazolylidene)methylamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(3-phenylpyrazol-4-ylidene)methylamino]urea Traditional Name: 1-(1-adamantyl)-3-[(3-phenylpyrazol-4-ylidene)methylamino]urea Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NNC=C4C=NN=C4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NNC=C4C=NN=C4C5=CC=CC=C5

InChI

InChI=1S/C21H25N5O/c27-20(24-21-9-14-6-15(10-21)8-16(7-14)11-21)26-23-13-18-12-22-25-19(18)17-4-2-1-3-5-17/h1-5,12-16,23H,6-11H2,(H2,24,26,27)