3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)NCCN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)NCCN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c25-21(22-10-12-24-11-4-9-23-24)14-18(16-5-2-1-3-6-16)17-7-8-19-20(13-17)27-15-26-19/h1-9,11,13,18H,10,12,14-15H2,(H,22,25)