3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC=CC(=C2)C(=O)N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)N)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-3-4-10-23-17(19)15(12(2)22-23)8-9-16(24)21-14-7-5-6-13(11-14)18(20)25/h5-9,11H,3-4,10H2,1-2H3,(H2,20,25)(H,21,24)/b9-8+