4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-chloranylphenoxy)pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-chloranylphenoxy)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-chlorophenoxy)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3-chlorophenoxy)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-chlorophenoxy)pyrimidine Traditional Name: 4-(3-chlorophenoxy)-6-(4-piperonylpiperazino)pyrimidine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=NC=N4)OC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=NC=N4)OC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H21ClN4O3/c23-17-2-1-3-18(11-17)30-22-12-21(24-14-25-22)27-8-6-26(7-9-27)13-16-4-5-19-20(10-16)29-15-28-19/h1-5,10-12,14H,6-9,13,15H2