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

Systemtic Name: N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)-3-nitro-4-piperidino-benzamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C28H30N6O3/c1-18(2)20-7-10-22(11-8-20)33-30-24-15-19(3)23(17-25(24)31-33)29-28(35)21-9-12-26(27(16-21)34(36)37)32-13-5-4-6-14-32/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,35)