N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-benzamide CAS Name: N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-benzamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=NN(N=C4C=C3C)C5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=NN(N=C4C=C3C)C5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O3/c1-17-4-7-21(8-5-17)32-29-23-14-19(3)22(16-24(23)30-32)28-27(34)20-6-9-25(26(15-20)33(35)36)31-12-10-18(2)11-13-31/h4-9,14-16,18H,10-13H2,1-3H3,(H,28,34)