2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]benzoate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]benzoate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloro-2-methyl-4-quinolyl)amino]benzoate CAS Name: 2-[(7-chloro-2-methyl-4-quinolinyl)amino]benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloro-2-methylquinolin-4-yl)amino]benzoate Traditional Name: 2-[(7-chloro-2-methyl-4-quinolyl)amino]benzoic acid 2-(4-phenylpiperazino)ethyl ester Formula: C29H29ClN4O2 MolecularWeight: 501.01916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)Cl)C(=C1)NC3=CC=CC=C3C(=O)OCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)Cl)C(=C1)NC3=CC=CC=C3C(=O)OCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4O2/c1-21-19-27(24-12-11-22(30)20-28(24)31-21)32-26-10-6-5-9-25(26)29(35)36-18-17-33-13-15-34(16-14-33)23-7-3-2-4-8-23/h2-12,19-20H,13-18H2,1H3,(H,31,32)