methyl 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 5-(3-methyl-5-phenyl-1-pyrazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-(3-methyl-5-phenylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C32H27N3O3 MolecularWeight: 501.57508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)NC(=O)C=C(C)C4=CC5=CC=CC=C5C=C4)C(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)NC(=O)/C=C(\C)/C4=CC5=CC=CC=C5C=C4)C(=O)OC

InChI

InChI=1S/C32H27N3O3/c1-21(25-14-13-23-9-7-8-12-26(23)19-25)17-31(36)33-29-16-15-27(20-28(29)32(37)38-3)35-30(18-22(2)34-35)24-10-5-4-6-11-24/h4-20H,1-3H3,(H,33,36)/b21-17+