tert-butyl 1-[(4-chloranyl-3-methoxy-phenyl)-[(6-cyanophthalazin-1-yl)amino]methyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[(4-chloranyl-3-methoxy-phenyl)-[(6-cyanophthalazin-1-yl)amino]methyl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[(4-chloro-3-methoxy-phenyl)-[(6-cyanophthalazin-1-yl)amino]methyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloro-3-methoxyphenyl)-[(6-cyano-1-phthalazinyl)amino]methyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-chloro-3-methoxyphenyl)-[(6-cyanophthalazin-1-yl)amino]methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-chloro-3-methoxy-phenyl)-[(6-cyanophthalazin-1-yl)amino]methyl]isonipecotic acid tert-butyl ester Formula: C27H30ClN5O3 MolecularWeight: 508.0118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(C2=CC(=C(C=C2)Cl)OC)NC3=C4C=CC(=CC4=CN=N3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(C2=CC(=C(C=C2)Cl)OC)NC3=C4C=CC(=CC4=CN=N3)C#N

InChI

InChI=1S/C27H30ClN5O3/c1-27(2,3)36-26(34)18-9-11-33(12-10-18)25(19-6-8-22(28)23(14-19)35-4)31-24-21-7-5-17(15-29)13-20(21)16-30-32-24/h5-8,13-14,16,18,25H,9-12H2,1-4H3,(H,31,32)