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

Systemtic Name: (4R)-6-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4R)-6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4R)-6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4R)-6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4R)-6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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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

Isomeric SMILES

CC1=NN(C2=C1[C@H](C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Br)O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O3/c1-11-17-18(12-8-15(22)19(27)16(9-12)28-2)14(10-23)20(24)29-21(17)26(25-11)13-6-4-3-5-7-13/h3-9,18,27H,24H2,1-2H3/t18-/m0/s1