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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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