ethyl 1-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carbonyl]amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[[3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carbonyl]amino]acetyl]isonipecotic acid ethyl ester Formula: C26H27ClN4O6 MolecularWeight: 526.96878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H27ClN4O6/c1-3-37-26(35)16-10-12-30(13-11-16)22(32)15-28-24(33)23-18-6-4-5-7-19(18)25(34)31(29-23)17-8-9-21(36-2)20(27)14-17/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,28,33)