2-(3-azanylidene-6-ethoxy-1H-isoindol-2-yl)-2-(methylamino)-4-oxidanyl-1-phenyl-butan-1-one hydrobromide

Systemtic Name: 2-(3-azanylidene-6-ethoxy-1H-isoindol-2-yl)-2-(methylamino)-4-oxidanyl-1-phenyl-butan-1-one hydrobromide Openeye Name: 2-(5-ethoxy-1-imino-isoindolin-2-yl)-4-hydroxy-2-(methylamino)-1-phenyl-butan-1-one hydrobromide CAS Name: 2-(6-ethoxy-3-imino-1H-isoindol-2-yl)-4-hydroxy-2-(methylamino)-1-phenyl-1-butanone hydrobromide IUPAC Name: 2-(6-ethoxy-3-imino-1H-isoindol-2-yl)-4-hydroxy-2-(methylamino)-1-phenylbutan-1-one hydrobromide Traditional Name: 2-(5-ethoxy-1-imino-isoindolin-2-yl)-4-hydroxy-2-(methylamino)-1-phenyl-butan-1-one hydrobromide Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=N)N(C2)C(CCO)(C(=O)C3=CC=CC=C3)NC.Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=N)N(C2)C(CCO)(C(=O)C3=CC=CC=C3)NC.Br

InChI

InChI=1S/C21H25N3O3.BrH/c1-3-27-17-9-10-18-16(13-17)14-24(20(18)22)21(23-2,11-12-25)19(26)15-7-5-4-6-8-15;/h4-10,13,22-23,25H,3,11-12,14H2,1-2H3;1H