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

Systemtic Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C25H23FN6O3 MolecularWeight: 474.486923

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN6O3/c1-16-13-21-22(29-31(28-21)19-8-6-18(26)7-9-19)15-20(16)27-25(33)17-5-10-23(24(14-17)32(34)35)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,27,33)