(phenylmethyl) (NE)-N-[[4-(aminomethyl)-3-fluoranyl-phenyl]-azanyl-methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[[4-(aminomethyl)-3-fluoranyl-phenyl]-azanyl-methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[4-(aminomethyl)-3-fluoro-phenyl]methylene]carbamate CAS Name: (NE)-N-[amino-[4-(aminomethyl)-3-fluorophenyl]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[4-(aminomethyl)-3-fluorophenyl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[4-(aminomethyl)-3-fluoro-phenyl]methylene]carbamic acid benzyl ester Formula: C16H16FN3O2 MolecularWeight: 301.315543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N=C(C2=CC(=C(C=C2)CN)F)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/N=C(\C2=CC(=C(C=C2)CN)F)/N

InChI

InChI=1S/C16H16FN3O2/c17-14-8-12(6-7-13(14)9-18)15(19)20-16(21)22-10-11-4-2-1-3-5-11/h1-8H,9-10,18H2,(H2,19,20,21)