(2-chloranylquinolin-3-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-chloro-3-quinolyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (2-chloro-3-quinolyl)methyl ester Formula: C23H18ClN3O2 MolecularWeight: 403.86092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C23H18ClN3O2/c24-23-20(12-19-8-4-5-9-21(19)26-23)16-29-22(28)11-10-18-13-25-27(15-18)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2/b11-10+