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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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