tert-butyl N-[5-methyl-4-oxidanylidene-2-[[1-oxidanylidene-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]amino]-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[[1-oxidanylidene-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]amino]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-benzyl-2-oxo-2-(2-pyridylmethylamino)ethyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[[1-oxo-3-phenyl-1-(2-pyridinylmethylamino)propan-2-yl]amino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-4-oxo-2-[[1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]amino]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[2-[[1-benzyl-2-keto-2-(2-pyridylmethylamino)ethyl]amino]-4-keto-5-methyl-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H31N5O5/c1-18-21(34-28(37)39-29(2,3)4)13-14-22-24(18)26(36)38-27(32-22)33-23(16-19-10-6-5-7-11-19)25(35)31-17-20-12-8-9-15-30-20/h5-15,23H,16-17H2,1-4H3,(H,31,35)(H,32,33)(H,34,37)