5-(1-adamantyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(Z)-(2,4-dichlorophenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(Z)-(2,4-dichlorobenzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NN=CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C\C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O/c22-16-2-1-15(17(23)6-16)11-24-27-20(28)18-7-19(26-25-18)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,11-14H,3-5,8-10H2,(H,25,26)(H,27,28)/b24-11-