4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]aniline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]aniline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]aniline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]aniline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]aniline Traditional Name: [4-(4-piperonylpiperazino)phenyl]amine Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)N

InChI

InChI=1S/C18H21N3O2/c19-15-2-4-16(5-3-15)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)23-13-22-17/h1-6,11H,7-10,12-13,19H2