N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]ethanamide

Systemtic Name: N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]ethanamide Openeye Name: N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]acetamide CAS Name: N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methylamino]ethyl]acetamide IUPAC Name: N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methylamino]ethyl]acetamide Traditional Name: N-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNCC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNCC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-15(26)23-10-9-22-12-17-13-25(18-5-3-2-4-6-18)24-21(17)16-7-8-19-20(11-16)28-14-27-19/h2-8,11,13,22H,9-10,12,14H2,1H3,(H,23,26)