[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H29ClN2O3/c24-19-2-1-3-20(13-19)25-4-6-26(7-5-25)21(27)14-29-23(28)22-17-9-15-8-16(11-17)12-18(22)10-15/h1-3,13,15-18,22H,4-12,14H2