5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Formula: C22H25BrN4O MolecularWeight: 441.3641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Br

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)/C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H25BrN4O/c1-13(17-2-4-18(23)5-3-17)24-27-21(28)19-9-20(26-25-19)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,25,26)(H,27,28)/b24-13-