ethyl 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-phthalazinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[4-(3,4-dichlorophenyl)piperazino]phthalazine-1-carbonyl]nipecotic acid ethyl ester Formula: C27H29Cl2N5O3 MolecularWeight: 542.45686

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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=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H29Cl2N5O3/c1-2-37-27(36)18-6-5-11-34(17-18)26(35)24-20-7-3-4-8-21(20)25(31-30-24)33-14-12-32(13-15-33)19-9-10-22(28)23(29)16-19/h3-4,7-10,16,18H,2,5-6,11-15,17H2,1H3