4-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-4-5-12-26-20(22)15(14(2)24-26)10-11-19(27)25-13-18(21(28)23-3)29-17-9-7-6-8-16(17)25/h6-11,18H,4-5,12-13H2,1-3H3,(H,23,28)/b11-10+