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

Systemtic Name: 3-[5-[1-(3-aminophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-phenoxy]propanenitrile Openeye Name: 3-[5-[1-(3-aminophenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-phenoxy]propanenitrile CAS Name: 3-[5-[1-(3-aminophenyl)-5-oxo-3-pyrrolidinyl]-2-methoxyphenoxy]propanenitrile IUPAC Name: 3-[5-[1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile Traditional Name: 3-[5-[1-(3-aminophenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-phenoxy]propionitrile Formula: C20H21N3O3 MolecularWeight: 351.39904

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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)OCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-25-18-7-6-14(10-19(18)26-9-3-8-21)15-11-20(24)23(13-15)17-5-2-4-16(22)12-17/h2,4-7,10,12,15H,3,9,11,13,22H2,1H3