N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-3-nitro-benzamide

Systemtic Name: N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-3-nitro-benzamide Openeye Name: N-[4-methyl-2-(1-piperidyl)-6-quinolyl]-3-nitro-benzamide CAS Name: N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-3-nitrobenzamide IUPAC Name: N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-3-nitrobenzamide Traditional Name: N-(4-methyl-2-piperidino-6-quinolyl)-3-nitro-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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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-])N4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H22N4O3/c1-15-12-21(25-10-3-2-4-11-25)24-20-9-8-17(14-19(15)20)23-22(27)16-6-5-7-18(13-16)26(28)29/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,27)