2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl 4,7-bis(chloranyl)quinoline-2-carboxylate

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl 4,7-bis(chloranyl)quinoline-2-carboxylate Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl 4,7-dichloroquinoline-2-carboxylate CAS Name: 4,7-dichloro-2-quinolinecarboxylic acid 2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl 4,7-dichloroquinoline-2-carboxylate Traditional Name: 4,7-dichloroquinaldic acid 2-[4-(4-methoxyphenyl)piperazino]ethyl ester Formula: C23H23Cl2N3O3 MolecularWeight: 460.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCOC(=O)C3=NC4=C(C=CC(=C4)Cl)C(=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCOC(=O)C3=NC4=C(C=CC(=C4)Cl)C(=C3)Cl

InChI

InChI=1S/C23H23Cl2N3O3/c1-30-18-5-3-17(4-6-18)28-10-8-27(9-11-28)12-13-31-23(29)22-15-20(25)19-7-2-16(24)14-21(19)26-22/h2-7,14-15H,8-13H2,1H3