(2-methylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[4-nitro-3-(phenethylamino)phenyl]piperazino]-(o-tolyl)methanone Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-20-7-5-6-10-23(20)26(31)29-17-15-28(16-18-29)22-11-12-25(30(32)33)24(19-22)27-14-13-21-8-3-2-4-9-21/h2-12,19,27H,13-18H2,1H3