N-(1-adamantylmethyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-oxazole-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-oxazole-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)isoxazole-5-carboxamide CAS Name: N-(1-adamantylmethyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-5-isoxazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazole-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-isoxazoline-5-carboxamide Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=C5C=CC=CC5=O)NO4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=C5C=CC=CC5=O)NO4

InChI

InChI=1S/C21H24N2O3/c24-18-4-2-1-3-16(18)17-8-19(26-23-17)20(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15,23H,5-7,9-12H2,(H,22,25)