6-chloranyl-8-[4-(phenylmethyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Systemtic Name: 6-chloranyl-8-[4-(phenylmethyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde Openeye Name: 8-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde CAS Name: 6-chloro-8-[4-(phenylmethyl)-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-5-carboxaldehyde IUPAC Name: 8-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde Traditional Name: 8-(4-benzylpiperazino)-6-chloro-2,3-dihydro-1,4-benzodioxin-5-carbaldehyde Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=C(C4=C3OCCO4)C=O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=C(C4=C3OCCO4)C=O)Cl

InChI

InChI=1S/C20H21ClN2O3/c21-17-12-18(20-19(16(17)14-24)25-10-11-26-20)23-8-6-22(7-9-23)13-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2