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

Systemtic Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-p-anisyl-amino]methyl]benzonitrile Formula: C24H31N3O MolecularWeight: 377.52244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H31N3O/c1-28-24-11-9-21(10-12-24)17-27(16-20-7-5-19(14-25)6-8-20)18-23-4-2-3-22(13-23)15-26/h2-4,9-13,19-20H,5-8,14,16-18,25H2,1H3