3-[7-chloranyl-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methyl-propanoate

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methyl-propanoate Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methyl-propanoate CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methylpropanoate IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methylpropanoate Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-2-(methylamino)-3H-1,4-benzodiazepin-3-yl]-2-methyl-propionate Formula: C20H18ClFN3O2- MolecularWeight: 386.827223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)NC)C(=O)[O-]

Isomeric SMILES

CC(CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)NC)C(=O)[O-]

InChI

InChI=1S/C20H19ClFN3O2/c1-11(20(26)27)9-17-19(23-2)25-16-8-7-12(21)10-14(16)18(24-17)13-5-3-4-6-15(13)22/h3-8,10-11,17H,9H2,1-2H3,(H,23,25)(H,26,27)/p-1