2-chloranyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[3-[4-(4-methyl-1-piperazinyl)phenyl]propyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[3-[4-(4-methylpiperazino)phenyl]propyl]-4-nitro-benzamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)CCCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CCCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O3/c1-24-11-13-25(14-12-24)17-6-4-16(5-7-17)3-2-10-23-21(27)19-9-8-18(26(28)29)15-20(19)22/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)