2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H20FN3O3 MolecularWeight: 441.453703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC(=O)O

InChI

InChI=1S/C26H20FN3O3/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-23(19)30(15-24(31)32)26(33)22(29-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,22,28H,13,15H2,(H,31,32)