methyl 4-[4-[(2R)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(2R)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[(2R)-1-(6-fluoro-4-methyl-quinazolin-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[[(2R)-1-(6-fluoro-4-methyl-2-quinazolinyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2R)-1-(6-fluoro-4-methyl-quinazolin-2-yl)prolyl]piperazino]benzoic acid methyl ester Formula: C26H28FN5O3 MolecularWeight: 477.530623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC3C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H]3C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C26H28FN5O3/c1-17-21-16-19(27)7-10-22(21)29-26(28-17)32-11-3-4-23(32)24(33)31-14-12-30(13-15-31)20-8-5-18(6-9-20)25(34)35-2/h5-10,16,23H,3-4,11-15H2,1-2H3/t23-/m1/s1