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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-phenylpiperazino)phenyl]propyl]-4-bromo-benzamide Formula: C26H26BrN5O4 MolecularWeight: 552.41974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O4/c27-20-9-6-18(7-10-20)26(34)29-22(17-25(28)33)19-8-11-23(24(16-19)32(35)36)31-14-12-30(13-15-31)21-4-2-1-3-5-21/h1-11,16,22H,12-15,17H2,(H2,28,33)(H,29,34)