pentyl 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate

Systemtic Name: pentyl 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: pentyl 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid pentyl ester IUPAC Name: pentyl 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid amyl ester Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C(=N2)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C(=N2)C

InChI

InChI=1S/C26H25BrN4O3/c1-3-4-5-14-33-26(32)18-8-12-20(13-9-18)31-25-22(16(2)30-31)23(21(15-28)24(29)34-25)17-6-10-19(27)11-7-17/h6-13,23H,3-5,14,29H2,1-2H3