1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C22H22N8O2/c1-15-6-5-9-18(16(15)2)27-10-12-28(13-11-27)21-20(30(31)32)22(24-14-23-21)29-19-8-4-3-7-17(19)25-26-29/h3-9,14H,10-13H2,1-2H3