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

Systemtic Name: 4-[[[4-(aminomethyl)phenyl]methyl-(furan-2-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(aminomethyl)phenyl]methyl-(2-furylmethyl)amino]methyl]benzonitrile CAS Name: 4-[[[4-(aminomethyl)phenyl]methyl-(2-furanylmethyl)amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(aminomethyl)phenyl]methyl-(furan-2-ylmethyl)amino]methyl]benzonitrile Traditional Name: 4-[[[4-(aminomethyl)benzyl]-(2-furfuryl)amino]methyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=COC(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O/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/h1-11H,12,14-16,22H2