[4-(6-azanyl-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 2-chloranylbenzoate

Systemtic Name: [4-(6-azanyl-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 2-chloranylbenzoate Openeye Name: [4-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester IUPAC Name: [4-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H21ClN4O3/c1-24(2,3)20-19-18(16(12-26)21(27)32-22(19)29-28-20)13-8-10-14(11-9-13)31-23(30)15-6-4-5-7-17(15)25/h4-11,18H,27H2,1-3H3,(H,28,29)