2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]propanamide

Systemtic Name: 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]propanamide Openeye Name: 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]propanamide CAS Name: 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]propanamide IUPAC Name: 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]propanamide Traditional Name: 2-acetamido-N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-piperonyl-propionamide Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=NN(C=C3Cl)C)NC(=O)C

Isomeric SMILES

CC(C(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=NN(C=C3Cl)C)NC(=O)C

InChI

InChI=1S/C18H21ClN4O4/c1-11(20-12(2)24)18(25)23(9-15-14(19)8-22(3)21-15)7-13-4-5-16-17(6-13)27-10-26-16/h4-6,8,11H,7,9-10H2,1-3H3,(H,20,24)