N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitro-benzamide

Systemtic Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitro-benzamide Openeye Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]-3-nitro-benzamide CAS Name: N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-3-nitrobenzamide IUPAC Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide Traditional Name: N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]-3-nitro-benzamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C22H23N5O3/c1-15-12-21(26-10-8-25(2)9-11-26)24-20-7-6-17(14-19(15)20)23-22(28)16-4-3-5-18(13-16)27(29)30/h3-7,12-14H,8-11H2,1-2H3,(H,23,28)