4-(azepan-1-yl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c1-25(15-21(28)24-18-8-6-7-17(23)14-18)22(29)16-9-10-19(20(13-16)27(30)31)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,24,28)