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

Systemtic Name: 1-[[5-[1H-indazol-5-yl-(phenylmethyl)amino]-4-quinazolin-7-yl-furan-2-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[5-[benzyl(1H-indazol-5-yl)amino]-4-quinazolin-7-yl-2-furyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-[1H-indazol-5-yl-(phenylmethyl)amino]-4-(7-quinazolinyl)-2-furanyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[5-[benzyl(1H-indazol-5-yl)amino]-4-quinazolin-7-ylfuran-2-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[5-[benzyl(1H-indazol-5-yl)amino]-4-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)N(CC3=CC=CC=C3)C4=CC5=C(C=C4)NN=C5)C6=CC7=NC=NC=C7C=C6)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC(=C(O2)N(CC3=CC=CC=C3)C4=CC5=C(C=C4)NN=C5)C6=CC7=NC=NC=C7C=C6)C(=O)O

InChI

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