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

Systemtic Name: (2-methylphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]-(o-tolyl)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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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-])NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-18-5-2-3-7-21(18)24(30)28-13-11-27(12-14-28)20-8-9-23(29(31)32)22(15-20)26-17-19-6-4-10-25-16-19/h2-10,15-16,26H,11-14,17H2,1H3