4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide CAS Name: 4-(methylamino)-3-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-(methylamino)-3-nitro-N-[3-(4-phenylpiperazino)propyl]benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-22-19-9-8-17(16-20(19)26(28)29)21(27)23-10-5-11-24-12-14-25(15-13-24)18-6-3-2-4-7-18/h2-4,6-9,16,22H,5,10-15H2,1H3,(H,23,27)