6-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN4O3/c1-12-19-20(17(10-24)21(25)30-22(19)27-26-12)13-6-7-18(28-2)14(8-13)11-29-16-5-3-4-15(23)9-16/h3-9,20H,11,25H2,1-2H3,(H,26,27)