4-[2-[[2-hydroxyethyl-(phenylmethyl)amino]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[[2-hydroxyethyl-(phenylmethyl)amino]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[2-hydroxyethyl-(phenylmethyl)amino]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O/c22-15-18-8-10-20(11-9-18)24-12-4-7-21(24)17-23(13-14-25)16-19-5-2-1-3-6-19/h1-12,25H,13-14,16-17H2