3-[[[4-(aminomethyl)phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(aminomethyl)phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(aminomethyl)phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]benzonitrile CAS Name: 3-[[[4-(aminomethyl)phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]benzonitrile IUPAC Name: 3-[[[4-(aminomethyl)phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]methyl]benzonitrile Traditional Name: 3-[[[4-(aminomethyl)benzyl]-piperonyl-amino]methyl]benzonitrile Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H23N3O2/c25-12-18-4-6-19(7-5-18)14-27(15-21-3-1-2-20(10-21)13-26)16-22-8-9-23-24(11-22)29-17-28-23/h1-11H,12,14-17,25H2