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

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[1-(pyridin-4-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-4-oxo-2-[1-(4-pyridylmethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[1-[oxo-(pyridin-4-ylmethylamino)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-(pyridin-4-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[1-(4-pyridylmethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C30H31N5O5 MolecularWeight: 541.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC4=CC=CC=C4C3C(=O)NCC5=CC=NC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC4=CC=CC=C4C3C(=O)NCC5=CC=NC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H31N5O5/c1-18-22(34-29(38)40-30(2,3)4)9-10-23-24(18)27(37)39-28(33-23)35-16-13-20-7-5-6-8-21(20)25(35)26(36)32-17-19-11-14-31-15-12-19/h5-12,14-15,25H,13,16-17H2,1-4H3,(H,32,36)(H,34,38)