4-[[[4-(aminomethyl)cyclohexyl]methyl-(furan-2-ylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(furan-2-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-furylmethyl)amino]methyl]benzonitrile CAS Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-furanylmethyl)amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(furan-2-ylmethyl)amino]methyl]benzonitrile Traditional Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-furfuryl)amino]methyl]benzonitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)C#N)CC3=CC=CO3

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)C#N)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O/c22-12-17-3-7-19(8-4-17)14-24(16-21-2-1-11-25-21)15-20-9-5-18(13-23)6-10-20/h1-4,7-8,11,18,20H,5-6,9-10,13-16,23H2