N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-(4-nitrophenyl)acetamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H27ClN4O4/c1-16(2)13-23(30)27-11-9-26(10-12-27)21-8-5-18(15-20(21)24)25-22(29)14-17-3-6-19(7-4-17)28(31)32/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)