[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C32H35N3O3/c1-22-7-9-26(10-8-22)31-27(19-35(34-31)28-5-3-2-4-6-28)11-12-30(37)38-20-29(36)33-21-32-16-23-13-24(17-32)15-25(14-23)18-32/h2-12,19,23-25H,13-18,20-21H2,1H3,(H,33,36)/b12-11+