N-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-2-pyridin-4-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-4-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-(4-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-pyridin-4-yl-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-4-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-(4-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=CC=NC=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=CC=NC=C6)CCC7=CC=C(C=C7)F

InChI

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