phenyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: phenyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: phenyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid phenyl ester Formula: C24H27Cl2N3O3 MolecularWeight: 476.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27Cl2N3O3/c25-21-9-8-18(14-22(21)26)15-23(30)29-13-12-28(17-19(29)16-27-10-4-5-11-27)24(31)32-20-6-2-1-3-7-20/h1-3,6-9,14,19H,4-5,10-13,15-17H2