N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-methyl-propanamide

Systemtic Name: N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-methyl-propanamide Openeye Name: N-[1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]-3-(4-imidazol-1-yl-2-nitro-anilino)-N-methyl-propanamide CAS Name: N-[1-(2-benzofuranylmethyl)-3-pyrrolidinyl]-3-[4-(1-imidazolyl)-2-nitroanilino]-N-methylpropanamide IUPAC Name: N-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-3-(4-imidazol-1-yl-2-nitroanilino)-N-methylpropanamide Traditional Name: N-[1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]-3-(4-imidazol-1-yl-2-nitro-anilino)-N-methyl-propionamide Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)CC2=CC3=CC=CC=C3O2)C(=O)CCNC4=C(C=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCN(C1)CC2=CC3=CC=CC=C3O2)C(=O)CCNC4=C(C=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O4/c1-29(21-9-12-30(16-21)17-22-14-19-4-2-3-5-25(19)36-22)26(33)8-10-28-23-7-6-20(15-24(23)32(34)35)31-13-11-27-18-31/h2-7,11,13-15,18,21,28H,8-10,12,16-17H2,1H3