N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-nitro-benzamide Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C26H30N6O4/c1-18-16-19(2)31(28-18)23-7-4-21(5-8-23)10-11-27-26(34)22-6-9-24(25(17-22)32(35)36)30-14-12-29(13-15-30)20(3)33/h4-9,16-17H,10-15H2,1-3H3,(H,27,34)