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

Systemtic Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(3-phenoxybenzyl)amino]methyl]benzonitrile Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)C#N)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)C#N)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O/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/h1-10,13-14,17,24,26H,11-12,15-16,19-22,31H2