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

Systemtic Name: N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-ethylphenyl)-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O3/c1-2-18-6-10-21(11-7-18)31-28-22-12-9-20(17-23(22)29-31)27-26(33)19-8-13-24(25(16-19)32(34)35)30-14-4-3-5-15-30/h6-13,16-17H,2-5,14-15H2,1H3,(H,27,33)