ethyl 1-[[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-bromophenyl)-1-oxo-2-phthalazinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-bromophenyl)-1-oxophthalazin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(4-bromophenyl)-1-keto-phthalazin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H24BrN3O3/c1-2-30-23(29)17-11-13-26(14-12-17)15-27-22(28)20-6-4-3-5-19(20)21(25-27)16-7-9-18(24)10-8-16/h3-10,17H,2,11-15H2,1H3