ethyl 2-[6-fluoranyl-5-(3-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-fluoranyl-5-(3-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]ethanoate Openeye Name: ethyl 2-[6-fluoro-5-(3-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate CAS Name: 2-[6-fluoro-5-(3-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-fluoro-5-(3-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate Traditional Name: 2-[6-fluoro-5-(3-methylpiperazino)-1H-benzimidazol-2-yl]acetic acid ethyl ester Formula: C16H21FN4O2 MolecularWeight: 320.361943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=CC(=C(C=C2N1)F)N3CCNC(C3)C

Isomeric SMILES

CCOC(=O)CC1=NC2=CC(=C(C=C2N1)F)N3CCNC(C3)C

InChI

InChI=1S/C16H21FN4O2/c1-3-23-16(22)8-15-19-12-6-11(17)14(7-13(12)20-15)21-5-4-18-10(2)9-21/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20)