dimethyl 3-[4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H28BrN3O5 MolecularWeight: 482.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H28BrN3O5/c1-29-17(26)4-16(5-18(27)30-2)25-11-15(10-23-25)24-19(28)20-6-13-3-14(7-20)9-21(22,8-13)12-20/h10-11,13-14,16H,3-9,12H2,1-2H3,(H,24,28)