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

Systemtic Name: (E)-N-[1-(3-acetamidophenyl)ethyl]-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[1-(3-acetamidophenyl)ethyl]-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[1-(3-acetamidophenyl)ethyl]-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[1-(3-acetamidophenyl)ethyl]-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[1-(3-acetamidophenyl)ethyl]-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC(C)C2=CC(=CC=C2)NC(=O)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC(C)C2=CC(=CC=C2)NC(=O)C)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-5-6-12-26-21(22)19(15(3)25-26)10-11-20(28)23-14(2)17-8-7-9-18(13-17)24-16(4)27/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,28)(H,24,27)/b11-10+