(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[(4-dimethylaminophenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[(4-dimethylaminophenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[(4-dimethylaminophenyl)methyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[(4-dimethylaminophenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[(4-dimethylaminophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-(dimethylamino)benzyl]acrylamide Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NCC2=CC=C(C=C2)N(C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NCC2=CC=C(C=C2)N(C)C)Cl

InChI

InChI=1S/C20H27ClN4O/c1-5-6-13-25-20(21)18(15(2)23-25)11-12-19(26)22-14-16-7-9-17(10-8-16)24(3)4/h7-12H,5-6,13-14H2,1-4H3,(H,22,26)/b12-11+