4-[[[4-(aminomethyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-(aminomethyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(aminomethyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[[4-(aminomethyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(aminomethyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-(aminomethyl)benzyl]-(3-phenoxybenzyl)amino]methyl]benzonitrile Formula: C29H27N3O MolecularWeight: 433.54418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H27N3O/c30-18-23-9-13-25(14-10-23)20-32(21-26-15-11-24(19-31)12-16-26)22-27-5-4-8-29(17-27)33-28-6-2-1-3-7-28/h1-17H,18,20-22,30H2