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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O3/c1-36-24-9-7-23(8-10-24)30-15-17-32(18-16-30)27-25(33(34)35)26(28-20-29-27)31-13-11-22(12-14-31)19-21-5-3-2-4-6-21/h2-10,20,22H,11-19H2,1H3