N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-homopiperonyl-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

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