3-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxidanylidene-1-pentan-3-yl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one

Systemtic Name: 3-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxidanylidene-1-pentan-3-yl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one Openeye Name: 3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-[4-[4-[1-(1-ethylpropyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]quinazolin-4-one CAS Name: 3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxo-1-pentan-3-yl-1,2,4-triazol-4-yl)phenyl]-1-piperazinyl]-4-quinazolinone IUPAC Name: 3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxo-1-pentan-3-yl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one Traditional Name: 3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-[4-[4-[1-(1-ethylpropyl)-5-keto-1,2,4-triazol-4-yl]phenyl]piperazino]quinazolin-4-one Formula: C37H40F2N10O3 MolecularWeight: 710.775506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC5=C(C=C4)C(=O)N(C=N5)C(C)C(CN6C=NC=N6)(C7=C(C=C(C=C7)F)F)O

Isomeric SMILES

CCC(CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC5=C(C=C4)C(=O)N(C=N5)[C@H](C)[C@](CN6C=NC=N6)(C7=C(C=C(C=C7)F)F)O

InChI

InChI=1S/C37H40F2N10O3/c1-4-27(5-2)49-36(51)48(24-43-49)29-9-7-28(8-10-29)44-14-16-45(17-15-44)30-11-12-31-34(19-30)41-23-47(35(31)50)25(3)37(52,20-46-22-40-21-42-46)32-13-6-26(38)18-33(32)39/h6-13,18-19,21-25,27,52H,4-5,14-17,20H2,1-3H3/t25-,37-/m1/s1