N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3-(fluoranylmethyl)-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide

Systemtic Name: N-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-3-(fluoranylmethyl)-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Openeye Name: N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-oxo-quinazolin-7-yl]-3-(fluoromethyl)-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine CAS Name: N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxo-7-quinazolinyl]-3-(fluoromethyl)-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1-piperazinecarboximidamide IUPAC Name: N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-3-(fluoromethyl)-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Traditional Name: N-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-keto-quinazolin-7-yl]-3-(fluoromethyl)-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine Formula: C33H42F2N6O2 MolecularWeight: 592.722386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1N=C(NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F)N6CCNC(C6)CF

Isomeric SMILES

CC1C2CC(C2(C)C)CC1N=C(NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F)N6CCNC(C6)CF

InChI

InChI=1S/C33H42F2N6O2/c1-20-27-13-22(33(27,2)3)14-29(20)39-32(40-12-10-36-24(17-34)18-40)38-23-6-8-26-30(15-23)37-19-41(31(26)42)11-9-21-5-7-25(43-4)16-28(21)35/h5-8,15-16,19-20,22,24,27,29,36H,9-14,17-18H2,1-4H3,(H,38,39)