5-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-(2-chlorobenzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NN=CC5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C/C5=CC=CC=C5Cl

InChI

InChI=1S/C21H23ClN4O/c22-17-4-2-1-3-16(17)12-23-26-20(27)18-8-19(25-24-18)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,12-15H,5-7,9-11H2,(H,24,25)(H,26,27)/b23-12+