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

Systemtic Name: 5-(1-adamantyl)-N-[(E)-(3-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-(3-bromophenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-(3-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-(3-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-(3-bromobenzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O/c22-17-3-1-2-13(7-17)12-23-26-20(27)18-8-19(25-24-18)21-9-14-4-15(10-21)6-16(5-14)11-21/h1-3,7-8,12,14-16H,4-6,9-11H2,(H,24,25)(H,26,27)/b23-12+