[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(3,5-dimethyl-1-piperidyl)-3-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: [4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(3,5-dimethylpiperidino)-3-nitro-phenyl]-(4-pyrazin-2-ylpiperazino)methanone Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N6O3/c1-16-11-17(2)15-27(14-16)19-4-3-18(12-20(19)28(30)31)22(29)26-9-7-25(8-10-26)21-13-23-5-6-24-21/h3-6,12-13,16-17H,7-11,14-15H2,1-2H3