6-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H14BrN5O2 MolecularWeight: 448.27216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC#N

InChI

InChI=1S/C21H14BrN5O2/c22-13-6-7-16(28-9-8-23)14(10-13)17-15(11-24)20(25)29-21-18(17)19(26-27-21)12-4-2-1-3-5-12/h1-7,10,17H,9,25H2,(H,26,27)