tert-butyl N-[1-(2-azanylethyl)-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-azanylethyl)-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-aminoethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-aminoethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-aminoethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-aminoethyl)-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3F)CCN

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3F)CCN

InChI

InChI=1S/C22H25FN4O3/c1-22(2,3)30-21(29)26-19-20(28)27(13-12-24)17-11-7-5-9-15(17)18(25-19)14-8-4-6-10-16(14)23/h4-11,19H,12-13,24H2,1-3H3,(H,26,29)