N-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-2-pyridin-3-yl-quinazolin-7-yl]-3-methyl-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide

Systemtic Name: N-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-2-pyridin-3-yl-quinazolin-7-yl]-3-methyl-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Openeye Name: N-[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(3-pyridyl)quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine CAS Name: N-[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(3-pyridinyl)-7-quinazolinyl]-3-methyl-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1-piperazinecarboximidamide IUPAC Name: N-[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-pyridin-3-ylquinazolin-7-yl]-3-methyl-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Traditional Name: N-[3-[2-(4-fluorophenyl)ethyl]-4-keto-2-(3-pyridyl)quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine Formula: C37H44FN7O MolecularWeight: 621.789963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=NC2CC3CC(C2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C(=N5)C6=CN=CC=C6)CCC7=CC=C(C=C7)F

Isomeric SMILES

CC1CN(CCN1)C(=NC2CC3CC(C2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C(=N5)C6=CN=CC=C6)CCC7=CC=C(C=C7)F

InChI

InChI=1S/C37H44FN7O/c1-23-22-44(17-15-40-23)36(43-32-19-27-18-31(24(32)2)37(27,3)4)41-29-11-12-30-33(20-29)42-34(26-6-5-14-39-21-26)45(35(30)46)16-13-25-7-9-28(38)10-8-25/h5-12,14,20-21,23-24,27,31-32,40H,13,15-19,22H2,1-4H3,(H,41,43)