N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-2-(4-nitrophenoxy)acetamide Formula: C26H25ClN4O5 MolecularWeight: 508.9535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H25ClN4O5/c1-18-4-2-3-5-22(18)26(33)30-14-12-29(13-15-30)24-11-6-19(16-23(24)27)28-25(32)17-36-21-9-7-20(8-10-21)31(34)35/h2-11,16H,12-15,17H2,1H3,(H,28,32)