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

Systemtic Name: tert-butyl N-[5,5-dimethyl-2-[[2-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]amino]-4-oxidanylidene-6H-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5,5-dimethyl-2-[[1-methyl-1-(3-pyridylmethylcarbamoyl)propyl]amino]-4-oxo-6H-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5,5-dimethyl-2-[[2-methyl-1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]amino]-4-oxo-6H-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5,5-dimethyl-2-[[2-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]amino]-4-oxo-6H-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5,5-dimethyl-2-[[1-methyl-1-(3-pyridylmethylcarbamoyl)propyl]amino]-6H-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NCC1=CN=CC=C1)NC2=NC3=C(C(=O)O2)C(C(C=C3)NC(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCC(C)(C(=O)NCC1=CN=CC=C1)NC2=NC3=C(C(=O)O2)C(C(C=C3)NC(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C26H35N5O5/c1-8-26(7,21(33)28-15-16-10-9-13-27-14-16)31-22-29-17-11-12-18(30-23(34)36-24(2,3)4)25(5,6)19(17)20(32)35-22/h9-14,18H,8,15H2,1-7H3,(H,28,33)(H,29,31)(H,30,34)