N-[2-[bis[2-[(2-oxidanidyl-1-oxidanylidene-isoquinolin-3-yl)carbonylamino]ethyl]amino]ethyl]-2-oxidanidyl-1-oxidanylidene-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[bis[2-[(2-oxidanidyl-1-oxidanylidene-isoquinolin-3-yl)carbonylamino]ethyl]amino]ethyl]-2-oxidanidyl-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[2-[bis[2-[(2-oxido-1-oxo-isoquinoline-3-carbonyl)amino]ethyl]amino]ethyl]-2-oxido-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[2-[bis[2-[[(2-oxido-1-oxo-3-isoquinolinyl)-oxomethyl]amino]ethyl]amino]ethyl]-2-oxido-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[2-[bis[2-[(2-oxido-1-oxoisoquinoline-3-carbonyl)amino]ethyl]amino]ethyl]-2-oxido-1-oxoisoquinoline-3-carboxamide Traditional Name: N-[2-[bis[2-[(1-keto-2-oxido-isoquinoline-3-carbonyl)amino]ethyl]amino]ethyl]-1-keto-2-oxido-isoquinoline-3-carboxamide Formula: C36H30N7O9-3 MolecularWeight: 704.6649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)[O-])C(=O)NCCN(CCNC(=O)C3=CC4=CC=CC=C4C(=O)N3[O-])CCNC(=O)C5=CC6=CC=CC=C6C(=O)N5[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)[O-])C(=O)NCCN(CCNC(=O)C3=CC4=CC=CC=C4C(=O)N3[O-])CCNC(=O)C5=CC6=CC=CC=C6C(=O)N5[O-]

InChI

InChI=1S/C36H30N7O9/c44-31(28-19-22-7-1-4-10-25(22)34(47)41(28)50)37-13-16-40(17-14-38-32(45)29-20-23-8-2-5-11-26(23)35(48)42(29)51)18-15-39-33(46)30-21-24-9-3-6-12-27(24)36(49)43(30)52/h1-12,19-21H,13-18H2,(H,37,44)(H,38,45)(H,39,46)/q-3