[2-(1-methylpyrazol-3-yl)azepan-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone

Systemtic Name: [2-(1-methylpyrazol-3-yl)azepan-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone Openeye Name: [2-(1-methylpyrazol-3-yl)azepan-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone CAS Name: [2-(1-methyl-3-pyrazolyl)-1-azepanyl]-[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: [2-(1-methylpyrazol-3-yl)azepan-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone Traditional Name: [2-(1-methylpyrazol-3-yl)azepan-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C2CCCCCN2C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)C2CCCCCN2C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-24-12-10-19(23-24)20-5-3-2-4-11-26(20)21(28)17-8-6-16(7-9-17)14-25-15-18(13-22-25)27(29)30/h6-10,12-13,15,20H,2-5,11,14H2,1H3