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

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

CCCCN1C(=C(C(=N1)C)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-3-4-9-23-19(20)14(12(2)22-23)6-7-16(24)13-5-8-17-15(10-13)21-18(25)11-26-17/h5-8,10H,3-4,9,11H2,1-2H3,(H,21,25)/b7-6+