tert-butyl N-[5-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-chloro-2-keto-1-p-anisyl-3H-1,4-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)Cl)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)Cl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24ClN3O4/c1-22(2,3)30-21(28)25-19-20(27)26(13-14-9-11-15(29-4)12-10-14)17-8-6-5-7-16(17)18(23)24-19/h5-12,19H,13H2,1-4H3,(H,25,28)