methyl 3-[(1-methoxy-1-oxidanylidene-3-piperazin-1-yl-propan-2-yl)carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[(1-methoxy-1-oxidanylidene-3-piperazin-1-yl-propan-2-yl)carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-methoxy-2-oxo-1-(piperazin-1-ylmethyl)ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[1-methoxy-1-oxo-3-(1-piperazinyl)propan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methoxy-1-oxo-3-piperazin-1-ylpropan-2-yl)carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[2-keto-2-methoxy-1-(piperazinomethyl)ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1CCNCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

COC(=O)C(CN1CCNCC1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C21H33N3O5/c1-28-17(25)16(12-24-5-3-22-4-6-24)23-18(26)20-8-14-7-15(9-20)11-21(10-14,13-20)19(27)29-2/h14-16,22H,3-13H2,1-2H3,(H,23,26)