6-azanyl-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H15BrN4O3 MolecularWeight: 451.2728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H15BrN4O3/c1-11-18-19(12-2-7-16-17(8-12)28-10-27-16)15(9-23)20(24)29-21(18)26(25-11)14-5-3-13(22)4-6-14/h2-8,20H,10,24H2,1H3