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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidine Formula: C26H29ClN6O2 MolecularWeight: 493.00046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H29ClN6O2/c27-22-7-4-8-23(18-22)30-13-15-32(16-14-30)26-24(33(34)35)25(28-19-29-26)31-11-9-21(10-12-31)17-20-5-2-1-3-6-20/h1-8,18-19,21H,9-17H2