phenanthridin-6-ylmethyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: phenanthridin-6-ylmethyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: phenanthridin-6-ylmethyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid phenanthridin-6-ylmethyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)Cl)C

InChI

InChI=1S/C22H18ClN3O2/c1-14-15(22(23)26(2)25-14)11-12-21(27)28-13-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)24-20/h3-12H,13H2,1-2H3/b12-11+