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

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrophthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-phthalazin-1-yl]isonipecotic acid ethyl ester Formula: C24H26ClN5O5 MolecularWeight: 499.94674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)[N+](=O)[O-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H26ClN5O5/c1-3-35-24(31)16-8-10-29(11-9-16)23-18-6-5-17(30(32)33)13-19(18)22(27-28-23)26-14-15-4-7-21(34-2)20(25)12-15/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,26,27)