6-[bis(azanyl)methylideneamino]-N-[[2-oxidanylidene-1-(4-phenoxybutyl)pyrrolidin-3-yl]methyl]hexanamide

Systemtic Name: 6-[bis(azanyl)methylideneamino]-N-[[2-oxidanylidene-1-(4-phenoxybutyl)pyrrolidin-3-yl]methyl]hexanamide Openeye Name: 6-guanidino-N-[[2-oxo-1-(4-phenoxybutyl)pyrrolidin-3-yl]methyl]hexanamide CAS Name: 6-(diaminomethylideneamino)-N-[[2-oxo-1-(4-phenoxybutyl)-3-pyrrolidinyl]methyl]hexanamide IUPAC Name: 6-(diaminomethylideneamino)-N-[[2-oxo-1-(4-phenoxybutyl)pyrrolidin-3-yl]methyl]hexanamide Traditional Name: 6-guanidino-N-[[2-keto-1-(4-phenoxybutyl)pyrrolidin-3-yl]methyl]hexanamide Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CNC(=O)CCCCCN=C(N)N)CCCCOC2=CC=CC=C2

Isomeric SMILES

C1CN(C(=O)C1CNC(=O)CCCCCN=C(N)N)CCCCOC2=CC=CC=C2

InChI

InChI=1S/C22H35N5O3/c23-22(24)25-13-6-2-5-11-20(28)26-17-18-12-15-27(21(18)29)14-7-8-16-30-19-9-3-1-4-10-19/h1,3-4,9-10,18H,2,5-8,11-17H2,(H,26,28)(H4,23,24,25)