[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(4-methyl-1-piperidyl)-5-nitro-phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylpiperidin-1-yl)-5-nitrophenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(4-methylpiperidino)-5-nitro-phenyl]-(4-pyrazin-2-ylpiperazino)methanone Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C21H26N6O3/c1-16-4-8-24(9-5-16)19-3-2-17(27(29)30)14-18(19)21(28)26-12-10-25(11-13-26)20-15-22-6-7-23-20/h2-3,6-7,14-16H,4-5,8-13H2,1H3