ethyl 6-azanyl-4-(3-iodanylphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(3-iodanylphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Openeye Name: ethyl 6-amino-4-(3-iodophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate CAS Name: 6-amino-4-(3-iodophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-iodophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Traditional Name: 6-amino-4-(3-iodophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester Formula: C18H20IN3O3 MolecularWeight: 453.27417

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(C(=C(OC2=NN1)N)C(=O)OCC)C3=CC(=CC=C3)I

Isomeric SMILES

CCCC1=C2C(C(=C(OC2=NN1)N)C(=O)OCC)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H20IN3O3/c1-3-6-12-14-13(10-7-5-8-11(19)9-10)15(18(23)24-4-2)16(20)25-17(14)22-21-12/h5,7-9,13H,3-4,6,20H2,1-2H3,(H,21,22)