2-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[1-[2-(4-nitrophenyl)ethyl]-3-pyrrolidinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c21-19(26)16-2-1-3-17-18(16)23-20(22-17)14-9-11-24(12-14)10-8-13-4-6-15(7-5-13)25(27)28/h1-7,14H,8-12H2,(H2,21,26)(H,22,23)