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

Systemtic Name: ethyl 4-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carbonyl]amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carbonyl]amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H26ClN5O6 MolecularWeight: 527.95684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H26ClN5O6/c1-3-37-25(35)30-12-10-29(11-13-30)21(32)15-27-23(33)22-17-6-4-5-7-18(17)24(34)31(28-22)16-8-9-20(36-2)19(26)14-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,27,33)