2-[5-azanyl-4-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-3-yl]oxyethyl ethanoate

Systemtic Name: 2-[5-azanyl-4-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-3-yl]oxyethyl ethanoate Openeye Name: 2-[5-amino-4-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-3-yl]oxyethyl acetate CAS Name: acetic acid 2-[[5-amino-4-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[5-amino-4-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-3-yl]oxyethyl acetate Traditional Name: acetic acid 2-[5-amino-4-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-3-yl]oxyethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCOC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5/c1-14(25)26-9-10-27-21-19(16-7-8-17-18(11-16)29-13-28-17)20(22)24(23-21)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13,22H2,1H3