tert-butyl N-[1-[2-(6-methoxy-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethylcarbamoyl]cyclopropyl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(6-methoxy-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethylcarbamoyl]cyclopropyl]carbamate Openeye Name: tert-butyl N-[1-[2-(6-methoxy-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)ethylcarbamoyl]cyclopropyl]carbamate CAS Name: N-[1-[[2-(6-methoxy-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)ethylamino]-oxomethyl]cyclopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(6-methoxy-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)ethylcarbamoyl]cyclopropyl]carbamate Traditional Name: N-[1-[2-(1-keto-6-methoxy-2-methyl-4-phenyl-3-isoquinolyl)ethylcarbamoyl]cyclopropyl]carbamic acid tert-butyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CC1)C(=O)NCCC2=C(C3=C(C=CC(=C3)OC)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CC1)C(=O)NCCC2=C(C3=C(C=CC(=C3)OC)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5/c1-27(2,3)36-26(34)30-28(14-15-28)25(33)29-16-13-22-23(18-9-7-6-8-10-18)21-17-19(35-5)11-12-20(21)24(32)31(22)4/h6-12,17H,13-16H2,1-5H3,(H,29,33)(H,30,34)