3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-15-11-20(24(23-15)13-17-5-3-2-4-6-17)22-21(25)10-8-16-7-9-18-19(12-16)27-14-26-18/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,22,25)