4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-naphthyloxy)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(2-naphthalenyloxy)-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(2-naphthoxy)-5-nitro-pyrimidine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H25N5O3/c1-18-6-5-9-23(19(18)2)29-12-14-30(15-13-29)25-24(31(32)33)26(28-17-27-25)34-22-11-10-20-7-3-4-8-21(20)16-22/h3-11,16-17H,12-15H2,1-2H3