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

Systemtic Name: tert-butyl N-(5-cycloheptyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-(5-cycloheptyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate CAS Name: N-(5-cycloheptyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-cycloheptyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-cycloheptyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)23-17-14-24(15-10-6-4-5-7-11-15)18-13-9-8-12-16(18)22-19(17)25/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,22,25)(H,23,26)