N3-cyclopropyl-4,6-bis(fluoranyl)-5-(4-methylpiperazin-1-yl)-2-nitro-N1-(phenylmethyl)benzene-1,3-diamine

Systemtic Name: N3-cyclopropyl-4,6-bis(fluoranyl)-5-(4-methylpiperazin-1-yl)-2-nitro-N1-(phenylmethyl)benzene-1,3-diamine Openeye Name: N1-benzyl-N3-cyclopropyl-4,6-difluoro-5-(4-methylpiperazin-1-yl)-2-nitro-benzene-1,3-diamine CAS Name: N3-cyclopropyl-4,6-difluoro-5-(4-methyl-1-piperazinyl)-2-nitro-N1-(phenylmethyl)benzene-1,3-diamine IUPAC Name: 1-N-benzyl-3-N-cyclopropyl-4,6-difluoro-5-(4-methylpiperazin-1-yl)-2-nitrobenzene-1,3-diamine Traditional Name: benzyl-[5-(cyclopropylamino)-2,4-difluoro-3-(4-methylpiperazino)-6-nitro-phenyl]amine Formula: C21H25F2N5O2 MolecularWeight: 417.452306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=C(C(=C2F)NCC3=CC=CC=C3)[N+](=O)[O-])NC4CC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=C(C(=C2F)NCC3=CC=CC=C3)[N+](=O)[O-])NC4CC4)F

InChI

InChI=1S/C21H25F2N5O2/c1-26-9-11-27(12-10-26)20-16(22)18(24-13-14-5-3-2-4-6-14)21(28(29)30)19(17(20)23)25-15-7-8-15/h2-6,15,24-25H,7-13H2,1H3