(1-oxidanylidene-1-phenylazanyl-butan-2-yl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: 1-(phenylcarbamoyl)propyl (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid 1-(phenylcarbamoyl)propyl ester Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-3-20(23(29)25-17-10-6-4-7-11-17)30-21(28)15-14-19-16(2)26-27(22(19)24)18-12-8-5-9-13-18/h4-15,20H,3H2,1-2H3,(H,25,29)/b15-14+