N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O4/c1-14-12-17(20(30-3)13-16(14)22)23-21(27)15(2)24-8-10-25(11-9-24)18-6-4-5-7-19(18)26(28)29/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,27)