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

Systemtic Name: ethyl 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carbonyl]nipecotic acid ethyl ester Formula: C27H30FN5O3 MolecularWeight: 491.557203

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN5O3/c1-2-36-27(35)19-6-5-13-33(18-19)26(34)24-22-7-3-4-8-23(22)25(30-29-24)32-16-14-31(15-17-32)21-11-9-20(28)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3