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

Systemtic Name: tert-butyl N-(5-cyclohexylcarbonyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[5-(cyclohexanecarbonyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[cyclohexyl(oxo)methyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(cyclohexanecarbonyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(cyclohexanecarbonyl)-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3CCCCC3

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-20(27)23-16-13-24(19(26)14-9-5-4-6-10-14)17-12-8-7-11-15(17)22-18(16)25/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,23,27)