tert-butyl 4-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[(4-methoxyphenyl)methylamino]-5-isoquinolyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[(4-methoxyphenyl)methylamino]-5-isoquinolinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(p-anisylamino)-5-isoquinolyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC3=C2C=CN=C3NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC3=C2C=CN=C3NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O3/c1-27(2,3)34-26(32)31-16-13-20(14-17-31)30-24-7-5-6-23-22(24)12-15-28-25(23)29-18-19-8-10-21(33-4)11-9-19/h5-12,15,20,30H,13-14,16-18H2,1-4H3,(H,28,29)