N-(2-chloranyl-4-nitro-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(2-phenoxyethyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(2-phenoxyethyl)piperazino]propionamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O4/c1-16(21(27)23-20-8-7-17(26(28)29)15-19(20)22)25-11-9-24(10-12-25)13-14-30-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,23,27)