tert-butyl N-(5-cyclooctyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(5-cyclooctyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-(5-cyclooctyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate CAS Name: N-(5-cyclooctyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-cyclooctyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-cyclooctyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C3CCCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C3CCCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)24-18-15-25(16-11-7-5-4-6-8-12-16)19-14-10-9-13-17(19)23-20(18)26/h9-10,13-14,16,18H,4-8,11-12,15H2,1-3H3,(H,23,26)(H,24,27)