N-(2-methylquinolin-5-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(2-methylquinolin-5-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-methyl-5-quinolyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-methyl-5-quinolinyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-methylquinolin-5-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-methyl-5-quinolyl)-3-nitro-4-piperidino-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

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