2-[4,7-bis(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4,7-triazonan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4,7-bis(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4,7-triazonan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4,7-bis(2-anilino-2-oxo-ethyl)-1,4,7-triazonan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4,7-bis(2-anilino-2-oxoethyl)-1,4,7-triazonan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4,7-bis(2-anilino-2-oxoethyl)-1,4,7-triazonan-1-yl]-N-phenylacetamide Traditional Name: 2-[4,7-bis(2-anilino-2-keto-ethyl)-1,4,7-triazonan-1-yl]-N-phenyl-acetamide Formula: C30H36N6O3 MolecularWeight: 528.64524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(CCN1CC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H36N6O3/c37-28(31-25-10-4-1-5-11-25)22-34-16-18-35(23-29(38)32-26-12-6-2-7-13-26)20-21-36(19-17-34)24-30(39)33-27-14-8-3-9-15-27/h1-15H,16-24H2,(H,31,37)(H,32,38)(H,33,39)