dimethyl 3-[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(1-adamantylamino)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N4O5/c1-29-18(26)6-17(7-19(27)30-2)25-12-16(11-22-25)23-20(28)24-21-8-13-3-14(9-21)5-15(4-13)10-21/h11-15,17H,3-10H2,1-2H3,(H2,23,24,28)