N'-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]adamantane-1-carbohydrazide Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H31ClN4O2/c1-3-4-7-27-20(23)18(14(2)26-27)5-6-19(28)24-25-21(29)22-11-15-8-16(12-22)10-17(9-15)13-22/h5-6,15-17H,3-4,7-13H2,1-2H3,(H,24,28)(H,25,29)/b6-5+