ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylate Traditional Name: 1-(4-chlorobenzyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-2-carboxylic acid ethyl ester Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2=CC=C(C=C2)Cl)CCCCC3=CN=CN3

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2=CC=C(C=C2)Cl)CCCCC3=CN=CN3

InChI

InChI=1S/C21H29ClN4O2/c1-2-28-21(27)20-15-25(10-4-3-5-19-13-23-16-24-19)11-12-26(20)14-17-6-8-18(22)9-7-17/h6-9,13,16,20H,2-5,10-12,14-15H2,1H3,(H,23,24)