4-azanyl-2-[3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acryloyl]isoindoline-1,3-quinone Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O3/c1-17-10-12-18(13-11-17)25-19(16-30(29-25)20-6-3-2-4-7-20)14-15-23(32)31-26(33)21-8-5-9-22(28)24(21)27(31)34/h2-16H,28H2,1H3