1-ethyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-benzotriazole-5-carboxamide Formula: C18H18FN5O2 MolecularWeight: 355.366223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)F)N=N1

InChI

InChI=1S/C18H18FN5O2/c1-3-24-16-8-7-12(9-15(16)21-22-24)18(26)23(2)11-17(25)20-14-6-4-5-13(19)10-14/h4-10H,3,11H2,1-2H3,(H,20,25)