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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-17-4-2-5-18(14-17)16-24-12-10-23(11-13-24)9-8-21(26)22-19-6-3-7-20(15-19)25(27)28/h2-7,14-15H,8-13,16H2,1H3,(H,22,26)