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

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-methyl-3-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-methyl-3-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-methyl-3-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-methyl-3-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-methyl-3-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=NN3C)C4=CC=CC=C4)N)C#N)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=NN3C)C4=CC=CC=C4)N)C#N)Br)O

InChI

InChI=1S/C22H19BrN4O3/c1-3-29-16-10-13(9-15(23)20(16)28)17-14(11-24)21(25)30-22-18(17)19(26-27(22)2)12-7-5-4-6-8-12/h4-10,17,28H,3,25H2,1-2H3