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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidyl)-1-piperidyl]phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-piperidinopiperidino)phenyl]propyl]-3-bromo-benzamide Formula: C26H32BrN5O4 MolecularWeight: 558.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H32BrN5O4/c27-20-6-4-5-19(15-20)26(34)29-22(17-25(28)33)18-7-8-23(24(16-18)32(35)36)31-13-9-21(10-14-31)30-11-2-1-3-12-30/h4-8,15-16,21-22H,1-3,9-14,17H2,(H2,28,33)(H,29,34)