N-[(2-methylquinolin-4-yl)methyl]-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[(2-methylquinolin-4-yl)methyl]-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[(2-methyl-4-quinolyl)methyl]-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[(2-methyl-4-quinolinyl)methyl]-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[(2-methylquinolin-4-yl)methyl]-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[(2-methyl-4-quinolyl)methyl]-4-(4-nitropyrazol-1-yl)butyramide Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-13-9-14(16-5-2-3-6-17(16)21-13)10-19-18(24)7-4-8-22-12-15(11-20-22)23(25)26/h2-3,5-6,9,11-12H,4,7-8,10H2,1H3,(H,19,24)