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

Systemtic Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCC(CC5)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCC(CC5)C)[N+](=O)[O-])C

InChI

InChI=1S/C28H30N6O3/c1-4-20-5-8-22(9-6-20)33-30-24-15-19(3)23(17-25(24)31-33)29-28(35)21-7-10-26(27(16-21)34(36)37)32-13-11-18(2)12-14-32/h5-10,15-18H,4,11-14H2,1-3H3,(H,29,35)