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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-cyclohexyloxy-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(cyclohexoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-cyclohexyloxy-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-cyclohexyloxy-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(cyclohexoxy)-5-nitro-pyrimidine Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H24ClN5O3/c21-15-5-4-6-16(13-15)24-9-11-25(12-10-24)19-18(26(27)28)20(23-14-22-19)29-17-7-2-1-3-8-17/h4-6,13-14,17H,1-3,7-12H2