4-[3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)prop-2-enoylamino]benzoic acid Openeye Name: 4-[3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]prop-2-enoylamino]benzoic acid CAS Name: 4-[[3-[3-(2-naphthalenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoylamino]benzoic acid Traditional Name: 4-[[3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzoic acid Formula: C29H21N3O3 MolecularWeight: 459.49534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4C=C3)C=CC(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4C=C3)C=CC(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H21N3O3/c33-27(30-25-15-12-21(13-16-25)29(34)35)17-14-24-19-32(26-8-2-1-3-9-26)31-28(24)23-11-10-20-6-4-5-7-22(20)18-23/h1-19H,(H,30,33)(H,34,35)