tert-butyl N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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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)OCCO4

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O5/c1-22(2,3)30-21(27)25-19-20(26)23-15-7-5-4-6-14(15)18(24-19)13-8-9-16-17(12-13)29-11-10-28-16/h4-9,12,19H,10-11H2,1-3H3,(H,23,26)(H,25,27)