5,8-diaminocarbonyl-1,4-bis[N'-(5-bromanylpentyl)carbamimidoyl]naphthalene-2-carboxylic acid

Systemtic Name: 5,8-diaminocarbonyl-1,4-bis[N'-(5-bromanylpentyl)carbamimidoyl]naphthalene-2-carboxylic acid Openeye Name: 1,4-bis[N'-(5-bromopentyl)carbamimidoyl]-5,8-dicarbamoyl-naphthalene-2-carboxylic acid CAS Name: 1,4-bis[amino(5-bromopentylimino)methyl]-5,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 1,4-bis[N'-(5-bromopentyl)carbamimidoyl]-5,8-dicarbamoylnaphthalene-2-carboxylic acid Traditional Name: 1,4-bis[N'-(5-bromopentyl)amidino]-5,8-dicarbamoyl-2-naphthoic acid Formula: C25H32Br2N6O4 MolecularWeight: 640.36738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)N)C(=CC(=C2C(=NCCCCCBr)N)C(=O)O)C(=NCCCCCBr)N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)N)C(=CC(=C2C(=NCCCCCBr)N)C(=O)O)C(=NCCCCCBr)N)C(=O)N

InChI

InChI=1S/C25H32Br2N6O4/c26-9-3-1-5-11-32-21(28)16-13-17(25(36)37)20(22(29)33-12-6-2-4-10-27)19-15(24(31)35)8-7-14(18(16)19)23(30)34/h7-8,13H,1-6,9-12H2,(H2,28,32)(H2,29,33)(H2,30,34)(H2,31,35)(H,36,37)