ethyl 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[[2-(4-chlorophenyl)-1-cycloheptenyl]methyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazino]benzoic acid ethyl ester Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H33ClN2O2/c1-2-32-27(31)22-10-14-25(15-11-22)30-18-16-29(17-19-30)20-23-6-4-3-5-7-26(23)21-8-12-24(28)13-9-21/h8-15H,2-7,16-20H2,1H3