N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCC(CC5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCC(CC5)C

InChI

InChI=1S/C29H32N6O3/c1-3-4-5-21-6-9-23(10-7-21)34-31-26-12-8-22(18-27(26)32-34)30-29(36)25-19-24(35(37)38)11-13-28(25)33-16-14-20(2)15-17-33/h6-13,18-20H,3-5,14-17H2,1-2H3,(H,30,36)