(E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)CN5C=C(C=N5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)CN5C=C(C=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4/c1-31-22-4-2-16(9-20(22)14-26-15-21(13-25-26)27(29)30)3-5-23(28)24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,9,13,15,17-19H,6-8,10-12,14H2,1H3/b5-3+