N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-(1-azepanyl)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H25BrN4O4/c23-17-7-5-6-16(12-17)22(29)25-18(14-21(24)28)15-8-9-19(20(13-15)27(30)31)26-10-3-1-2-4-11-26/h5-9,12-13,18H,1-4,10-11,14H2,(H2,24,28)(H,25,29)