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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(O2)C3=CC4=C(C=C3)C(=NC=N4)N(CC5=CC=CC=C5)C6=CC7=C(C=C6)NN=C7)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC=C(O2)C3=CC4=C(C=C3)C(=NC=N4)N(CC5=CC=CC=C5)C6=CC7=C(C=C6)NN=C7)C(=O)O

InChI

InChI=1S/C32H28N6O3/c39-32(40)29-7-4-14-37(29)19-25-10-13-30(41-25)22-8-11-26-28(16-22)33-20-34-31(26)38(18-21-5-2-1-3-6-21)24-9-12-27-23(15-24)17-35-36-27/h1-3,5-6,8-13,15-17,20,29H,4,7,14,18-19H2,(H,35,36)(H,39,40)