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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

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