2-[5-(azepan-1-yl)-2-fluoranyl-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(azepan-1-yl)-2-fluoranyl-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(azepan-1-yl)-2-fluoro-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(1-azepanyl)-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(azepan-1-yl)-2-fluoro-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24FN3O2/c22-18-13-21(25(26)27)20(23-10-5-1-2-6-11-23)14-19(18)24-12-9-16-7-3-4-8-17(16)15-24/h3-4,7-8,13-14H,1-2,5-6,9-12,15H2