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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-3-nitrobenzamide Traditional Name: N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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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(C)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(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H32N6O3/c1-18(2)21-5-8-23(9-6-21)34-31-25-15-20(4)24(17-26(25)32-34)30-29(36)22-7-10-27(28(16-22)35(37)38)33-13-11-19(3)12-14-33/h5-10,15-19H,11-14H2,1-4H3,(H,30,36)