ethyl 1-[4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-1-phthalazinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[4-(5-chloro-2-methoxy-phenyl)piperazino]phthalazine-1-carbonyl]nipecotic acid ethyl ester Formula: C28H32ClN5O4 MolecularWeight: 538.03778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C28H32ClN5O4/c1-3-38-28(36)19-7-6-12-34(18-19)27(35)25-21-8-4-5-9-22(21)26(31-30-25)33-15-13-32(14-16-33)23-17-20(29)10-11-24(23)37-2/h4-5,8-11,17,19H,3,6-7,12-16,18H2,1-2H3