N-[3-azanyl-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[2-(1-piperidyl)ethylamino]phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[2-(1-piperidinyl)ethylamino]phenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(2-piperidinoethylamino)phenyl]propyl]benzamide Formula: C23H29N5O4 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c24-22(29)16-20(26-23(30)17-7-3-1-4-8-17)18-9-10-19(21(15-18)28(31)32)25-11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15,20,25H,2,5-6,11-14,16H2,(H2,24,29)(H,26,30)