tert-butyl N-[1-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamido-pentyl]carbamate

Systemtic Name: tert-butyl N-[1-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamido-pentyl]carbamate Openeye Name: tert-butyl N-[1-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamido-pentyl]carbamate CAS Name: N-[1-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamidopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamidopentyl]carbamate Traditional Name: N-[1-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-5-benzamido-pentyl]carbamic acid tert-butyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCNC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCNC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C26H34N4O4/c1-17-23(27)29-21-16-19(13-14-22(21)33-17)20(30-25(32)34-26(2,3)4)12-8-9-15-28-24(31)18-10-6-5-7-11-18/h5-7,10-11,13-14,16-17,20H,8-9,12,15H2,1-4H3,(H2,27,29)(H,28,31)(H,30,32)