2-(furan-2-yl)-4-[1H-indazol-5-yl-(phenylmethyl)amino]-1-methyl-3-quinazolin-7-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(furan-2-yl)-4-[1H-indazol-5-yl-(phenylmethyl)amino]-1-methyl-3-quinazolin-7-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-[benzyl(1H-indazol-5-yl)amino]-2-(2-furyl)-1-methyl-3-quinazolin-7-yl-pyrrolidine-2-carboxylic acid CAS Name: 2-(2-furanyl)-4-[1H-indazol-5-yl-(phenylmethyl)amino]-1-methyl-3-(7-quinazolinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[benzyl(1H-indazol-5-yl)amino]-2-(furan-2-yl)-1-methyl-3-quinazolin-7-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-[benzyl(1H-indazol-5-yl)amino]-2-(2-furyl)-1-methyl-3-quinazolin-7-yl-proline Formula: C32H28N6O3 MolecularWeight: 544.60312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1(C2=CC=CO2)C(=O)O)C3=CC4=NC=NC=C4C=C3)N(CC5=CC=CC=C5)C6=CC7=C(C=C6)NN=C7

Isomeric SMILES

CN1CC(C(C1(C2=CC=CO2)C(=O)O)C3=CC4=NC=NC=C4C=C3)N(CC5=CC=CC=C5)C6=CC7=C(C=C6)NN=C7

InChI

InChI=1S/C32H28N6O3/c1-37-19-28(38(18-21-6-3-2-4-7-21)25-11-12-26-24(14-25)17-35-36-26)30(32(37,31(39)40)29-8-5-13-41-29)22-9-10-23-16-33-20-34-27(23)15-22/h2-17,20,28,30H,18-19H2,1H3,(H,35,36)(H,39,40)