9,10-diaminocarbonyl-1,7-bis(bromanyl)-3,4-bis(N'-cyclohexylcarbamimidoyl)perylene-2-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-1,7-bis(bromanyl)-3,4-bis(N'-cyclohexylcarbamimidoyl)perylene-2-carboxylic acid Openeye Name: 1,7-dibromo-9,10-dicarbamoyl-3,4-bis(N'-cyclohexylcarbamimidoyl)perylene-2-carboxylic acid CAS Name: 3,4-bis[amino(cyclohexylimino)methyl]-1,7-dibromo-9,10-dicarbamoyl-2-perylenecarboxylic acid IUPAC Name: 1,7-dibromo-9,10-dicarbamoyl-3,4-bis(N'-cyclohexylcarbamimidoyl)perylene-2-carboxylic acid Traditional Name: 1,7-dibromo-9,10-dicarbamoyl-3,4-bis(N'-cyclohexylamidino)perylene-2-carboxylic acid Formula: C37H36Br2N6O4 MolecularWeight: 788.52754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(C2=C3C4=C(C=C2)C5=C(C=C(C6=C(C=CC(=C56)C4=C(C(=C3C(=NC7CCCCC7)N)C(=O)O)Br)C(=O)N)C(=O)N)Br)N

Isomeric SMILES

C1CCC(CC1)N=C(C2=C3C4=C(C=C2)C5=C(C=C(C6=C(C=CC(=C56)C4=C(C(=C3C(=NC7CCCCC7)N)C(=O)O)Br)C(=O)N)C(=O)N)Br)N

InChI

InChI=1S/C37H36Br2N6O4/c38-23-15-22(36(43)47)24-21(35(42)46)14-12-19-26(24)25(23)18-11-13-20(33(40)44-16-7-3-1-4-8-16)28-27(18)29(19)32(39)31(37(48)49)30(28)34(41)45-17-9-5-2-6-10-17/h11-17H,1-10H2,(H2,40,44)(H2,41,45)(H2,42,46)(H2,43,47)(H,48,49)