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

Systemtic Name: N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

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