ethyl 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-ium-1-ylidene]ethanoate

Systemtic Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-ium-1-ylidene]ethanoate Openeye Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-ium-1-ylidene]acetate CAS Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-ium-1-ylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-ium-1-ylidene]acetate Traditional Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-keto-3H-1,4-benzodiazepin-1-ium-1-ylidene]acetic acid ethyl ester Formula: C28H23FN3O3+ MolecularWeight: 468.498923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=[N+]1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C=[N+]1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

InChI

InChI=1S/C28H22FN3O3/c1-2-35-26(33)17-32-25-14-8-5-11-21(25)27(20-10-3-6-12-22(20)29)31-24(28(32)34)15-18-16-30-23-13-7-4-9-19(18)23/h3-14,16-17,24H,2,15H2,1H3/p+1