N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]propyl]-3-bromo-benzamide Formula: C25H25BrN6O4 MolecularWeight: 553.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C25H25BrN6O4/c26-19-5-3-4-18(14-19)25(34)29-20(16-23(27)33)17-7-8-21(22(15-17)32(35)36)30-10-12-31(13-11-30)24-6-1-2-9-28-24/h1-9,14-15,20H,10-13,16H2,(H2,27,33)(H,29,34)