8-(6-azanylhexylamino)-5-bromanyl-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide

Systemtic Name: 8-(6-azanylhexylamino)-5-bromanyl-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide Openeye Name: 8-(6-aminohexylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide CAS Name: 8-(6-aminohexylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide IUPAC Name: 8-(6-aminohexylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide Traditional Name: 8-(6-aminohexylamino)-5-bromo-N-(4-fluorobenzyl)-1,6-naphthyridine-7-carboxamide Formula: C22H25BrFN5O MolecularWeight: 474.369203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2Br)C(=O)NCC3=CC=C(C=C3)F)NCCCCCCN)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(N=C2Br)C(=O)NCC3=CC=C(C=C3)F)NCCCCCCN)N=C1

InChI

InChI=1S/C22H25BrFN5O/c23-21-17-6-5-13-26-18(17)19(27-12-4-2-1-3-11-25)20(29-21)22(30)28-14-15-7-9-16(24)10-8-15/h5-10,13,27H,1-4,11-12,14,25H2,(H,28,30)