3-azanyl-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(1H-benzimidazol-2-ylmethyl)-5-(2-fluorophenyl)-5H-1,4-benzodiazepin-2-one Formula: C23H18FN5O MolecularWeight: 399.420323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N=C(C(=O)N2CC3=NC4=CC=CC=C4N3)N)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C(N=C(C(=O)N2CC3=NC4=CC=CC=C4N3)N)C5=CC=CC=C5F

InChI

InChI=1S/C23H18FN5O/c24-16-9-3-1-7-14(16)21-15-8-2-6-12-19(15)29(23(30)22(25)28-21)13-20-26-17-10-4-5-11-18(17)27-20/h1-12,21H,13H2,(H2,25,28)(H,26,27)