4-[[2-azanylethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-azanylethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-aminoethyl-[(4-benzyloxy-3-methoxy-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[2-aminoethyl-(4-benzoxy-3-methoxy-benzyl)amino]methyl]benzonitrile Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CCN)CC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CCN)CC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2/c1-29-25-15-23(11-12-24(25)30-19-22-5-3-2-4-6-22)18-28(14-13-26)17-21-9-7-20(16-27)8-10-21/h2-12,15H,13-14,17-19,26H2,1H3