2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]benzenecarbonitrile Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]benzonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]benzonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]benzonitrile Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]benzonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N2O2/c1-13(20-16-5-3-2-4-15(16)11-19)6-7-14-8-9-17-18(10-14)22-12-21-17/h2-5,8-10,13,20H,6-7,12H2,1H3