methyl 4-[2-(4-chlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-(4-chlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl 4-[2-(4-chlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-chlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester Formula: C19H26ClN3O3 MolecularWeight: 379.88104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN3O3/c1-26-19(25)22-10-11-23(17(14-22)13-21-8-2-3-9-21)18(24)12-15-4-6-16(20)7-5-15/h4-7,17H,2-3,8-14H2,1H3