4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-cinnamylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(4-cinnamylpiperazino)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C29H33N7O4 MolecularWeight: 543.61682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H33N7O4/c37-36(38)27-28(34-15-11-32(12-16-34)10-4-7-23-5-2-1-3-6-23)30-21-31-29(27)35-17-13-33(14-18-35)20-24-8-9-25-26(19-24)40-22-39-25/h1-9,19,21H,10-18,20,22H2