methyl 3-[[1-methoxy-3-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[1-methoxy-3-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-methoxy-1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[1-methoxy-3-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-methoxy-3-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[2-keto-2-methoxy-1-[(4-methylpiperazino)methyl]ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C22H35N3O5/c1-24-4-6-25(7-5-24)13-17(18(26)29-2)23-19(27)21-9-15-8-16(10-21)12-22(11-15,14-21)20(28)30-3/h15-17H,4-14H2,1-3H3,(H,23,27)