N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]-3-bromanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]-3-bromanyl-adamantane-1-carboxamide Openeye Name: 3-bromo-N-[1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide CAS Name: 3-bromo-N-[1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: 3-bromo-N-[1-(2-phthalimidoethyl)pyrazol-4-yl]adamantane-1-carboxamide Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C24H25BrN4O3/c25-24-10-15-7-16(11-24)9-23(8-15,14-24)22(32)27-17-12-26-28(13-17)5-6-29-20(30)18-3-1-2-4-19(18)21(29)31/h1-4,12-13,15-16H,5-11,14H2,(H,27,32)