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

Systemtic Name: tert-butyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-phthalazinyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanophthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-phthalazin-1-yl]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)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

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

InChI

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