N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-5-nitro-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-5-nitro-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-2,3-dihydrobenzofuran-7-carboxamide CAS Name: N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-5-nitro-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-coumaran-7-carboxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=CC(=CC3=C2OCC3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=CC(=CC3=C2OCC3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4/c1-24-8-9-25(13-16-5-3-2-4-6-16)15-18(14-24)23-22(27)20-12-19(26(28)29)11-17-7-10-30-21(17)20/h2-6,11-12,18H,7-10,13-15H2,1H3,(H,23,27)