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

Systemtic Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H21FN6O3 MolecularWeight: 460.460343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C24H21FN6O3/c1-15-12-20-21(28-30(27-20)18-7-5-17(25)6-8-18)14-19(15)26-24(32)16-4-9-22(23(13-16)31(33)34)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,32)