bis[4-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpiperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpiperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-(4-guanidinobenzoyl)piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[4-(diaminomethylideneamino)benzoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-(4-guanidinobenzoyl)piperazino] ester Formula: C34H46N10O6 MolecularWeight: 690.79244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)C3=CC=C(C=C3)N=C(N)N)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)N=C(N)N

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)C3=CC=C(C=C3)N=C(N)N)C(=O)ON4CCN(CC4)C(=O)C5=CC=C(C=C5)N=C(N)N

InChI

InChI=1S/C34H46N10O6/c35-33(36)39-27-11-7-23(8-12-27)29(45)41-15-19-43(20-16-41)49-31(47)25-3-1-4-26(6-2-5-25)32(48)50-44-21-17-42(18-22-44)30(46)24-9-13-28(14-10-24)40-34(37)38/h7-14,25-26H,1-6,15-22H2,(H4,35,36,39)(H4,37,38,40)