4-(azepan-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-methyl-N-[(5-methyl-2-furanyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-15-7-9-17(27-15)14-21(2)20(24)16-8-10-18(19(13-16)23(25)26)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12,14H2,1-2H3