tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1-(2-pyridinylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(2-fluorophenyl)-2-keto-9-methyl-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C)CC4=CC=CC=N4

InChI

InChI=1S/C27H27FN4O3/c1-17-10-9-13-20-22(19-12-5-6-14-21(19)28)30-24(31-26(34)35-27(2,3)4)25(33)32(23(17)20)16-18-11-7-8-15-29-18/h5-15,24H,16H2,1-4H3,(H,31,34)