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

Systemtic Name: 4-[[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-5-6-13-26-20(22)18(15(2)24-26)11-12-19(27)25(4)14-16-7-9-17(10-8-16)21(28)23-3/h7-12H,5-6,13-14H2,1-4H3,(H,23,28)/b12-11+