4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidine Formula: C25H28ClN7O2 MolecularWeight: 493.98852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H28ClN7O2/c26-21-7-4-8-22(17-21)30-13-15-32(16-14-30)25-23(33(34)35)24(27-19-28-25)31-11-9-29(10-12-31)18-20-5-2-1-3-6-20/h1-8,17,19H,9-16,18H2