tert-butyl N-[5-methyl-4-oxidanylidene-2-[1-(2-pyridin-2-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[1-(2-pyridin-2-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-4-oxo-2-[1-[2-(2-pyridyl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[1-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-4-oxo-2-[1-(2-pyridin-2-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[1-[2-(2-pyridyl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC4=CC=CC=C4C3C(=O)NCCC5=CC=CC=N5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC4=CC=CC=C4C3C(=O)NCCC5=CC=CC=N5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H33N5O5/c1-19-23(35-30(39)41-31(2,3)4)12-13-24-25(19)28(38)40-29(34-24)36-18-15-20-9-5-6-11-22(20)26(36)27(37)33-17-14-21-10-7-8-16-32-21/h5-13,16,26H,14-15,17-18H2,1-4H3,(H,33,37)(H,35,39)