2-dimethylaminoethyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-dimethylaminoethyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-dimethylaminoethyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid 2-dimethylaminoethyl ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCOC(=O)/C=C/C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-27(2)14-15-31-23(29)13-12-19-17-28(20-9-4-3-5-10-20)26-24(19)21-16-18-8-6-7-11-22(18)32-25(21)30/h3-13,16-17H,14-15H2,1-2H3/b13-12+