4-[6-azanyl-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(4-dimethylaminophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C23H21N5O3 MolecularWeight: 415.44454

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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)N(C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C(=C(C(O2)N)C#N)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H21N5O3/c1-13-19-20(14-4-8-16(9-5-14)27(2)3)18(12-24)21(25)31-22(19)28(26-13)17-10-6-15(7-11-17)23(29)30/h4-11,21H,25H2,1-3H3,(H,29,30)