N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-16-8-9-17(24-26-19-6-2-3-7-20(19)27-24)14-21(16)28-25(31)18-10-11-22(23(15-18)30(32)33)29-12-4-5-13-29/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,26,27)(H,28,31)