(E)-3-(6-chloranyl-2H-chromen-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-2H-chromen-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(6-chloro-2H-chromen-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-(6-chloro-2H-1-benzopyran-3-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-(6-chloro-2H-chromen-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(6-chloro-2H-chromen-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Cl)C=CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)/C=C/C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2/c23-19-7-8-21-18(11-19)10-16(15-28-21)6-9-22(27)24-12-17-13-25-26(14-17)20-4-2-1-3-5-20/h1-11,13-14H,12,15H2,(H,24,27)/b9-6+