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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18N2O2/c1-13(20-16-7-4-15(11-19)5-8-16)2-3-14-6-9-17-18(10-14)22-12-21-17/h4-10,13,20H,2-3,12H2,1H3