6-azanyl-1-(4-bromophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-1-(4-bromophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-benzyloxyphenyl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-1-(4-bromophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-1-(4-bromophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-benzoxyphenyl)-1-(4-bromophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C27H21BrN4O2 MolecularWeight: 513.38524

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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)OCC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN4O2/c1-17-24-25(19-7-13-22(14-8-19)33-16-18-5-3-2-4-6-18)23(15-29)26(30)34-27(24)32(31-17)21-11-9-20(28)10-12-21/h2-14,26H,16,30H2,1H3