2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-indole-3-carbaldehyde

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-indole-3-carbaldehyde Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-indole-3-carbaldehyde CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1H-indole-3-carboxaldehyde IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-indole-3-carbaldehyde Traditional Name: 2-(4-piperonylpiperazino)-1H-indole-3-carbaldehyde Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5N4)C=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5N4)C=O

InChI

InChI=1S/C21H21N3O3/c25-13-17-16-3-1-2-4-18(16)22-21(17)24-9-7-23(8-10-24)12-15-5-6-19-20(11-15)27-14-26-19/h1-6,11,13,22H,7-10,12,14H2