methyl 2-[[3-azanyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]methyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[3-azanyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]methyl]pyridine-3-carboxylate Openeye Name: methyl 2-[[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]methyl]pyridine-3-carboxylate CAS Name: 2-[[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]methyl]pyridine-3-carboxylate Traditional Name: 2-[[3-amino-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]methyl]nicotinic acid methyl ester Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

InChI

InChI=1S/C23H19FN4O3/c1-31-23(30)15-9-6-12-26-18(15)13-28-19-11-5-3-8-16(19)20(27-21(25)22(28)29)14-7-2-4-10-17(14)24/h2-12,21H,13,25H2,1H3