4-[5-[1-(3-aminophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-phenoxy]butanenitrile

Systemtic Name: 4-[5-[1-(3-aminophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-phenoxy]butanenitrile Openeye Name: 4-[5-[1-(3-aminophenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-phenoxy]butanenitrile CAS Name: 4-[5-[1-(3-aminophenyl)-5-oxo-3-pyrrolidinyl]-2-methoxyphenoxy]butanenitrile IUPAC Name: 4-[5-[1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]butanenitrile Traditional Name: 4-[5-[1-(3-aminophenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-phenoxy]butyronitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)N(C2)C3=CC(=CC=C3)N)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)N(C2)C3=CC(=CC=C3)N)OCCCC#N

InChI

InChI=1S/C21H23N3O3/c1-26-19-8-7-15(11-20(19)27-10-3-2-9-22)16-12-21(25)24(14-16)18-6-4-5-17(23)13-18/h4-8,11,13,16H,2-3,10,12,14,23H2,1H3