N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazino]propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C21H26N4O4/c1-14-4-9-19(25(28)29)20(15(14)2)22-21(27)16(3)23-10-12-24(13-11-23)17-5-7-18(26)8-6-17/h4-9,16,26H,10-13H2,1-3H3,(H,22,27)