tert-butyl N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)29-20(26)24-18-19(25)22-14-7-5-4-6-13(14)17(23-18)12-8-9-15-16(10-12)28-11-27-15/h4-10,18H,11H2,1-3H3,(H,22,25)(H,24,26)