2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]acetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide Formula: C21H28ClN5O4 MolecularWeight: 449.93112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H28ClN5O4/c22-17-6-7-18(19(14-17)27(30)31)26-12-10-25(11-13-26)15-20(28)24-21(29)23-9-8-16-4-2-1-3-5-16/h4,6-7,14H,1-3,5,8-13,15H2,(H2,23,24,28,29)