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

Systemtic Name: 6-azanyl-1-(4-iodophenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-hydroxy-3-methoxy-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-hydroxy-3-methoxy-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17IN4O3 MolecularWeight: 500.28915

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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)O)OC)C4=CC=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C21H17IN4O3/c1-11-18-19(12-3-8-16(27)17(9-12)28-2)15(10-23)20(24)29-21(18)26(25-11)14-6-4-13(22)5-7-14/h3-9,20,27H,24H2,1-2H3