4-(methylamino)-N-[3-(4-methyl-2-phenyl-piperazin-1-yl)propyl]-3-nitro-benzamide

Systemtic Name: 4-(methylamino)-N-[3-(4-methyl-2-phenyl-piperazin-1-yl)propyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[3-(4-methyl-2-phenyl-piperazin-1-yl)propyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[3-(4-methyl-2-phenyl-1-piperazinyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[3-(4-methyl-2-phenyl-piperazino)propyl]-3-nitro-benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-23-19-10-9-18(15-20(19)27(29)30)22(28)24-11-6-12-26-14-13-25(2)16-21(26)17-7-4-3-5-8-17/h3-5,7-10,15,21,23H,6,11-14,16H2,1-2H3,(H,24,28)