2-adamantyl N-[3-(benzotriazol-1-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[3-(benzotriazol-1-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[1-(benzotriazol-1-ylmethyl)-1-methyl-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[3-(1-benzotriazolyl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[3-(benzotriazol-1-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[1-(benzotriazol-1-ylmethyl)-2-keto-1-methyl-2-(phenethylamino)ethyl]carbamic acid 2-adamantyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CN1C2=CC=CC=C2N=N1)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C29H35N5O3/c1-29(18-34-25-10-6-5-9-24(25)32-33-34,27(35)30-12-11-19-7-3-2-4-8-19)31-28(36)37-26-22-14-20-13-21(16-22)17-23(26)15-20/h2-10,20-23,26H,11-18H2,1H3,(H,30,35)(H,31,36)