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

Systemtic Name: 6-azanyl-4-[3-bromanyl-4-[(4-bromophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[3-bromo-4-(4-bromobenzyl)oxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H16Br2N4O2 MolecularWeight: 516.18534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Br)Br

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Br)Br

InChI

InChI=1S/C21H16Br2N4O2/c1-11-18-19(15(9-24)20(25)29-21(18)27-26-11)13-4-7-17(16(23)8-13)28-10-12-2-5-14(22)6-3-12/h2-8,19H,10,25H2,1H3,(H,26,27)