N-[3-[2-(4-fluorophenyl)ethyl]-2-(4-methylcyclohexyl)-4-oxidanylidene-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]-2-(4-methylcyclohexyl)-4-oxidanylidene-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]-2-(4-methylcyclohexyl)-4-oxo-quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine CAS Name: N-[3-[2-(4-fluorophenyl)ethyl]-2-(4-methylcyclohexyl)-4-oxo-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]-2-(4-methylcyclohexyl)-4-oxoquinazolin-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-methylcyclohexyl)quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine Formula: C39H53FN6O MolecularWeight: 640.876123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=NC3=C(C=CC(=C3)NC(=NC4CC5CC(C4C)C5(C)C)N6CCNC(C6)C)C(=O)N2CCC7=CC=C(C=C7)F

Isomeric SMILES

CC1CCC(CC1)C2=NC3=C(C=CC(=C3)NC(=NC4CC5CC(C4C)C5(C)C)N6CCNC(C6)C)C(=O)N2CCC7=CC=C(C=C7)F

InChI

InChI=1S/C39H53FN6O/c1-24-6-10-28(11-7-24)36-43-35-22-31(14-15-32(35)37(47)46(36)18-16-27-8-12-30(40)13-9-27)42-38(45-19-17-41-25(2)23-45)44-34-21-29-20-33(26(34)3)39(29,4)5/h8-9,12-15,22,24-26,28-29,33-34,41H,6-7,10-11,16-21,23H2,1-5H3,(H,42,44)