N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H26N4O3/c1-4-23-10-12-24(13-11-23)17-8-9-19(15(2)14-17)22-21(26)18-6-5-7-20(16(18)3)25(27)28/h5-9,14H,4,10-13H2,1-3H3,(H,22,26)