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

Systemtic Name: 4-[2-[[phenethyl-(phenylmethyl)amino]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[[benzyl(phenethyl)amino]methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[phenethyl-(phenylmethyl)amino]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[[benzyl(phenethyl)amino]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[[benzyl(phenethyl)amino]methyl]pyrrol-1-yl]benzonitrile Formula: C27H25N3 MolecularWeight: 391.5075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC3=CC=CN3C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)CC3=CC=CN3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H25N3/c28-20-24-13-15-26(16-14-24)30-18-7-12-27(30)22-29(21-25-10-5-2-6-11-25)19-17-23-8-3-1-4-9-23/h1-16,18H,17,19,21-22H2