6-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O3/c1-14-17(22(23)26(25-14)12-15-5-3-2-4-6-15)8-9-19(27)16-7-10-20-18(11-16)24-21(28)13-29-20/h2-11H,12-13H2,1H3,(H,24,28)/b9-8+