6-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H16BrClN4O3 MolecularWeight: 487.73374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)O)OC)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)O)OC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16BrClN4O3/c1-10-17-18(11-6-15(22)19(28)16(7-11)29-2)14(9-24)20(25)30-21(17)27(26-10)13-5-3-4-12(23)8-13/h3-8,18,28H,25H2,1-2H3