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

Systemtic Name: (2R)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(2-methoxy-5-methyl-benzyl)piperazino]-N-(2-nitrophenyl)propionamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-16-8-9-21(30-3)18(14-16)15-24-10-12-25(13-11-24)17(2)22(27)23-19-6-4-5-7-20(19)26(28)29/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,27)/t17-/m1/s1