4-[2-[(3-butoxypropylamino)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3-butoxypropylamino)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3-butoxypropylamino)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(3-butoxypropylamino)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(3-butoxypropylamino)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(3-butoxypropylamino)methyl]pyrrol-1-yl]benzonitrile Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNCC1=CC=CN1C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCOCCCNCC1=CC=CN1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H25N3O/c1-2-3-13-23-14-5-11-21-16-19-6-4-12-22(19)18-9-7-17(15-20)8-10-18/h4,6-10,12,21H,2-3,5,11,13-14,16H2,1H3