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

Systemtic Name: 6-[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-11(2)9-23-19(20)14(12(3)22-23)5-6-16(24)13-4-7-17-15(8-13)21-18(25)10-26-17/h4-8,11H,9-10H2,1-3H3,(H,21,25)/b6-5+