N-[3-[2-(4-fluorophenyl)ethyl]-4-oxidanylidene-2-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-yl)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-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-yl)quinazolin-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-(1H-1,2,4-triazol-5-yl)quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine Formula: C34H42FN9O MolecularWeight: 611.755383

Click to see the large picture

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=NC=NN6)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=NC=NN6)CCC7=CC=C(C=C7)F

InChI

InChI=1S/C34H42FN9O/c1-20-18-43(14-12-36-20)33(41-28-16-23-15-27(21(28)2)34(23,3)4)39-25-9-10-26-29(17-25)40-31(30-37-19-38-42-30)44(32(26)45)13-11-22-5-7-24(35)8-6-22/h5-10,17,19-21,23,27-28,36H,11-16,18H2,1-4H3,(H,39,41)(H,37,38,42)