2-[4-(3-methylphenyl)piperazin-1-yl]-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide Openeye Name: 2-[4-(m-tolyl)piperazin-1-yl]-N-[3-(4-nitroanilino)propyl]acetamide CAS Name: 2-[4-(3-methylphenyl)-1-piperazinyl]-N-[3-(4-nitroanilino)propyl]acetamide IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[3-(4-nitroanilino)propyl]acetamide Traditional Name: 2-[4-(m-tolyl)piperazino]-N-[3-(4-nitroanilino)propyl]acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-18-4-2-5-21(16-18)26-14-12-25(13-15-26)17-22(28)24-11-3-10-23-19-6-8-20(9-7-19)27(29)30/h2,4-9,16,23H,3,10-15,17H2,1H3,(H,24,28)