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

Systemtic Name: N-[2-[[1-[(4-chlorophenyl)methyl]azepan-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[1-[(4-chlorophenyl)methyl]azepan-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[1-[(4-chlorophenyl)methyl]-3-azepanyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[1-[(4-chlorophenyl)methyl]azepan-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[1-(4-chlorobenzyl)azepan-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC(C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O4/c23-18-9-7-16(8-10-18)14-26-11-2-1-5-19(15-26)25-21(28)13-24-22(29)17-4-3-6-20(12-17)27(30)31/h3-4,6-10,12,19H,1-2,5,11,13-15H2,(H,24,29)(H,25,28)