2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzenecarbonitrile Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzonitrile CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzonitrile IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzonitrile Traditional Name: 2-[[cyclopentyl(piperonyl)amino]methyl]benzonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C21H22N2O2/c22-12-17-5-1-2-6-18(17)14-23(19-7-3-4-8-19)13-16-9-10-20-21(11-16)25-15-24-20/h1-2,5-6,9-11,19H,3-4,7-8,13-15H2