tert-butyl N-[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-yl)carbonylamino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-yl)carbonylamino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carbonyl)amino]cyclohexyl]carbamate CAS Name: N-[1-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-yl)-oxomethyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carbonyl)amino]cyclohexyl]carbamate Traditional Name: N-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carbonyl)amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C28H35N4O4+ MolecularWeight: 491.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4O4/c1-27(2,3)36-26(35)31-28(17-11-6-12-18-28)30-25(34)32(4)22-16-10-9-15-21(22)24(29-19-23(32)33)20-13-7-5-8-14-20/h5,7-10,13-16H,6,11-12,17-19H2,1-4H3,(H-,30,31,34,35)/p+1