ethyl 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]isonipecotic acid ethyl ester Formula: C24H26Cl2N4O3 MolecularWeight: 489.39424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)Cl)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)Cl)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H26Cl2N4O3/c1-3-33-24(31)16-8-10-30(11-9-16)23-18-6-5-17(25)13-19(18)22(28-29-23)27-14-15-4-7-21(32-2)20(26)12-15/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,27,28)