(2S)-N-(2-methoxy-5-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(m-tolylmethyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(3-methylbenzyl)piperazino]propionamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-16-5-4-6-18(13-16)15-24-9-11-25(12-10-24)17(2)22(27)23-20-14-19(26(28)29)7-8-21(20)30-3/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,23,27)/t17-/m0/s1