2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: N-(3-nitrophenyl)-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[4-(2-methylbenzyl)piperazino]-N-(3-nitrophenyl)propionamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-16-6-3-4-7-18(16)15-23-10-12-24(13-11-23)17(2)21(26)22-19-8-5-9-20(14-19)25(27)28/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,26)