3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[3-(4-phenylpiperazino)propyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H25N7O3 MolecularWeight: 435.479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H25N7O3/c30-22(18-7-8-20(21(15-18)29(31)32)28-17-23-16-25-28)24-9-4-10-26-11-13-27(14-12-26)19-5-2-1-3-6-19/h1-3,5-8,15-17H,4,9-14H2,(H,24,30)