tert-butyl N-[3-isoquinolin-5-yl-1-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-isoquinolin-5-yl-1-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-(5-isoquinolyl)-1-[(4-methoxyphenyl)methylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-(5-isoquinolinyl)-1-[(4-methoxyphenyl)methylamino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-isoquinolin-5-yl-1-[(4-methoxyphenyl)methylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-(5-isoquinolyl)-3-keto-1-(p-anisylamino)propyl]carbamic acid tert-butyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)C1=CC=CC2=C1C=CN=C2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)C1=CC=CC2=C1C=CN=C2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O4/c1-25(2,3)32-24(30)28-23(27-15-17-8-10-19(31-4)11-9-17)14-22(29)21-7-5-6-18-16-26-13-12-20(18)21/h5-13,16,23,27H,14-15H2,1-4H3,(H,28,30)