N-ethyl-3-[6-[[(3S)-3-fluoranylpyrrolidin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzamide

Systemtic Name: N-ethyl-3-[6-[[(3S)-3-fluoranylpyrrolidin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzamide Openeye Name: N-ethyl-3-[6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-oxo-quinazolin-3-yl]-4-methyl-benzamide CAS Name: N-ethyl-3-[6-[[(3S)-3-fluoro-1-pyrrolidinyl]methyl]-4-oxo-3-quinazolinyl]-4-methylbenzamide IUPAC Name: N-ethyl-3-[6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide Traditional Name: N-ethyl-3-[6-[[(3S)-3-fluoropyrrolidino]methyl]-4-keto-quinazolin-3-yl]-4-methyl-benzamide Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)N2C=NC3=C(C2=O)C=C(C=C3)CN4CCC(C4)F

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=NC3=C(C2=O)C=C(C=C3)CN4CC[C@@H](C4)F

InChI

InChI=1S/C23H25FN4O2/c1-3-25-22(29)17-6-4-15(2)21(11-17)28-14-26-20-7-5-16(10-19(20)23(28)30)12-27-9-8-18(24)13-27/h4-7,10-11,14,18H,3,8-9,12-13H2,1-2H3,(H,25,29)/t18-/m0/s1