9,10-bis(oxidanylidene)-N-[2-[2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)ethanoylamino]ethyl]anthracene-2-carboxamide

Systemtic Name: 9,10-bis(oxidanylidene)-N-[2-[2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)ethanoylamino]ethyl]anthracene-2-carboxamide Openeye Name: 9,10-dioxo-N-[2-[[2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)acetyl]amino]ethyl]anthracene-2-carboxamide CAS Name: 9,10-dioxo-N-[2-[[1-oxo-2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)ethyl]amino]ethyl]-2-anthracenecarboxamide IUPAC Name: 9,10-dioxo-N-[2-[[2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)acetyl]amino]ethyl]anthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[2-[[2-(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)acetyl]amino]ethyl]anthracene-2-carboxamide Formula: C31H34N6O4 MolecularWeight: 554.63946

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=NC(=CC=C2)CNCCN(C1)CC(=O)NCCNC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CNCC2=NC(=CC=C2)CNCCN(C1)CC(=O)NCCNC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H34N6O4/c38-28(20-37-15-4-11-32-18-22-5-3-6-23(36-22)19-33-14-16-37)34-12-13-35-31(41)21-9-10-26-27(17-21)30(40)25-8-2-1-7-24(25)29(26)39/h1-3,5-10,17,32-33H,4,11-16,18-20H2,(H,34,38)(H,35,41)