3-(hydroxymethyl)-6,9-bis(1H-indol-3-ylmethyl)-1,4,7-triazonane-2,5,8-trione

Systemtic Name: 3-(hydroxymethyl)-6,9-bis(1H-indol-3-ylmethyl)-1,4,7-triazonane-2,5,8-trione Openeye Name: 3-(hydroxymethyl)-6,9-bis(1H-indol-3-ylmethyl)-1,4,7-triazonane-2,5,8-trione CAS Name: 3-(hydroxymethyl)-6,9-bis(1H-indol-3-ylmethyl)-1,4,7-triazonane-2,5,8-trione IUPAC Name: 3-(hydroxymethyl)-6,9-bis(1H-indol-3-ylmethyl)-1,4,7-triazonane-2,5,8-trione Traditional Name: 3,6-bis(1H-indol-3-ylmethyl)-9-methylol-1,4,7-triazonane-2,5,8-trione Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C25H25N5O4/c31-13-22-25(34)29-20(9-14-11-26-18-7-3-1-5-16(14)18)23(32)28-21(24(33)30-22)10-15-12-27-19-8-4-2-6-17(15)19/h1-8,11-12,20-22,26-27,31H,9-10,13H2,(H,28,32)(H,29,34)(H,30,33)